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

Systemtic Name: 3-bromanyl-N-[cyclopropylmethyl-(phenylmethyl)carbamothioyl]-4-methyl-benzamide Openeye Name: N-[benzyl(cyclopropylmethyl)carbamothioyl]-3-bromo-4-methyl-benzamide CAS Name: 3-bromo-N-[[cyclopropylmethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[benzyl(cyclopropylmethyl)carbamothioyl]-3-bromo-4-methylbenzamide Traditional Name: N-[benzyl(cyclopropylmethyl)thiocarbamoyl]-3-bromo-4-methyl-benzamide Formula: C20H21BrN2OS MolecularWeight: 417.36254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)N(CC2CC2)CC3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)N(CC2CC2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C20H21BrN2OS/c1-14-7-10-17(11-18(14)21)19(24)22-20(25)23(13-16-8-9-16)12-15-5-3-2-4-6-15/h2-7,10-11,16H,8-9,12-13H2,1H3,(H,22,24,25)