5-bromanyl-N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-2-(3-methylbutoxy)benzamide

Systemtic Name: 5-bromanyl-N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-2-(3-methylbutoxy)benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-5-bromo-2-isopentyloxy-benzamide CAS Name: 5-bromo-N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-2-(3-methylbutoxy)benzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-5-bromo-2-(3-methylbutoxy)benzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-5-bromo-2-isoamoxy-benzamide Formula: C23H26BrN3O2S MolecularWeight: 488.44044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C23H26BrN3O2S/c1-17(2)11-14-29-21-10-9-19(24)15-20(21)22(28)26-23(30)27(13-6-12-25)16-18-7-4-3-5-8-18/h3-5,7-10,15,17H,6,11,13-14,16H2,1-2H3,(H,26,28,30)