2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[(4-heptoxybenzoyl)carbamothioylamino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[(4-heptoxybenzoyl)carbamothioylamino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-[(4-heptoxybenzoyl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxamide Formula: C28H33N3O3S2 MolecularWeight: 523.70992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N

InChI

InChI=1S/C28H33N3O3S2/c1-3-4-5-6-10-17-34-22-15-13-21(14-16-22)26(33)30-28(35)31-27-24(25(29)32)19(2)23(36-27)18-20-11-8-7-9-12-20/h7-9,11-16H,3-6,10,17-18H2,1-2H3,(H2,29,32)(H2,30,31,33,35)