N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-4-(3-thienylmethyl)-1,4-diazepane-1-carboxamide CAS Name: N-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]-4-(3-thiophenylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carboxamide Traditional Name: N-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-4-(3-thenyl)-1,4-diazepane-1-carboxamide Formula: C23H31N3OS MolecularWeight: 397.57674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCCN(CC2)CC3=CSC=C3

Isomeric SMILES

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C23H31N3OS/c1-18(2)20-7-5-8-21(15-20)23(3,4)24-22(27)26-11-6-10-25(12-13-26)16-19-9-14-28-17-19/h5,7-9,14-15,17H,1,6,10-13,16H2,2-4H3,(H,24,27)