N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-4-(2-phenoxyethoxy)benzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-4-(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=C(C=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

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

InChI

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