N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-3-(2-phenoxyethoxy)benzamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC#N)C(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC#N)C(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

InChI

InChI=1S/C26H25N3O3S/c27-15-8-16-29(20-21-9-3-1-4-10-21)26(33)28-25(30)22-11-7-14-24(19-22)32-18-17-31-23-12-5-2-6-13-23/h1-7,9-14,19H,8,16-18,20H2,(H,28,30,33)