3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-N-(phenylmethyl)benzamide

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzamide CAS Name: 3-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzamide Traditional Name: N-benzyl-3-(homoveratrylthiocarbamoylamino)benzamide Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3)OC

InChI

InChI=1S/C25H27N3O3S/c1-30-22-12-11-18(15-23(22)31-2)13-14-26-25(32)28-21-10-6-9-20(16-21)24(29)27-17-19-7-4-3-5-8-19/h3-12,15-16H,13-14,17H2,1-2H3,(H,27,29)(H2,26,28,32)