3-bromanyl-N-[cyclopropylmethyl-(phenylmethyl)carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-[cyclopropylmethyl-(phenylmethyl)carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[benzyl(cyclopropylmethyl)carbamothioyl]-3-bromo-4-methoxy-benzamide CAS Name: 3-bromo-N-[[cyclopropylmethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[benzyl(cyclopropylmethyl)carbamothioyl]-3-bromo-4-methoxybenzamide Traditional Name: N-[benzyl(cyclopropylmethyl)thiocarbamoyl]-3-bromo-4-methoxy-benzamide Formula: C20H21BrN2O2S MolecularWeight: 433.36194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)N(CC2CC2)CC3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)N(CC2CC2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C20H21BrN2O2S/c1-25-18-10-9-16(11-17(18)21)19(24)22-20(26)23(13-15-7-8-15)12-14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12-13H2,1H3,(H,22,24,26)