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

Systemtic Name: 3-[(3,4-dimethoxyphenyl)carbamothioylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzamide CAS Name: 3-[[(3,4-dimethoxyanilino)-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzamide Traditional Name: N-benzyl-3-[(3,4-dimethoxyphenyl)thiocarbamoylamino]benzamide Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O3S/c1-28-20-12-11-19(14-21(20)29-2)26-23(30)25-18-10-6-9-17(13-18)22(27)24-15-16-7-4-3-5-8-16/h3-14H,15H2,1-2H3,(H,24,27)(H2,25,26,30)