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

Systemtic Name: 3-bromanyl-N-[cyclobutylmethyl-(phenylmethyl)carbamothioyl]-4-methyl-benzamide Openeye Name: N-[benzyl(cyclobutylmethyl)carbamothioyl]-3-bromo-4-methyl-benzamide CAS Name: 3-bromo-N-[[cyclobutylmethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[benzyl(cyclobutylmethyl)carbamothioyl]-3-bromo-4-methylbenzamide Traditional Name: N-[benzyl(cyclobutylmethyl)thiocarbamoyl]-3-bromo-4-methyl-benzamide Formula: C21H23BrN2OS MolecularWeight: 431.38912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)N(CC2CCC2)CC3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)N(CC2CCC2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C21H23BrN2OS/c1-15-10-11-18(12-19(15)22)20(25)23-21(26)24(14-17-8-5-9-17)13-16-6-3-2-4-7-16/h2-4,6-7,10-12,17H,5,8-9,13-14H2,1H3,(H,23,25,26)