methyl N-(6-thiophen-2-ylcarbonyl-1H-benzimidazol-2-yl)carbamate; (E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine

Systemtic Name: methyl N-(6-thiophen-2-ylcarbonyl-1H-benzimidazol-2-yl)carbamate; (E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine Openeye Name: methyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate; (E)-N,6,6-trimethyl-N-(1-naphthylmethyl)hept-2-en-4-yn-1-amine CAS Name: N-[6-[oxo(thiophen-2-yl)methyl]-1H-benzimidazol-2-yl]carbamic acid methyl ester; (E)-N,6,6-trimethyl-N-(1-naphthalenylmethyl)-1-hept-2-en-4-ynamine IUPAC Name: methyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate; (E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-(1-naphthylmethyl)amine; N-[6-(2-thenoyl)-1H-benzimidazol-2-yl]carbamic acid methyl ester Formula: C35H36N4O3S MolecularWeight: 592.75034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC=CCN(C)CC1=CC=CC2=CC=CC=C21.COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21.COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H25N.C14H11N3O3S/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19;1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h5-7,9-14H,16-17H2,1-4H3;2-7H,1H3,(H2,15,16,17,19)/b9-5+;