N-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-3-phenethyloxy-benzamide

Systemtic Name: N-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: N-[[4-[2-(dimethylamino)-2-oxo-ethyl]phenyl]carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[[4-[2-(dimethylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamothioyl]-3-phenethyloxybenzamide Traditional Name: N-[[4-[2-(dimethylamino)-2-keto-ethyl]phenyl]thiocarbamoyl]-3-phenethyloxy-benzamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O3S/c1-29(2)24(30)17-20-11-13-22(14-12-20)27-26(33)28-25(31)21-9-6-10-23(18-21)32-16-15-19-7-4-3-5-8-19/h3-14,18H,15-17H2,1-2H3,(H2,27,28,31,33)