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

Systemtic Name: 3-bromanyl-4-methoxy-N-[4-oxidanylbutyl-(phenylmethyl)carbamothioyl]benzamide Openeye Name: N-[benzyl(4-hydroxybutyl)carbamothioyl]-3-bromo-4-methoxy-benzamide CAS Name: 3-bromo-N-[[4-hydroxybutyl-(phenylmethyl)amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[benzyl(4-hydroxybutyl)carbamothioyl]-3-bromo-4-methoxybenzamide Traditional Name: N-[benzyl(4-hydroxybutyl)thiocarbamoyl]-3-bromo-4-methoxy-benzamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)N(CCCCO)CC2=CC=CC=C2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)N(CCCCO)CC2=CC=CC=C2)Br

InChI

InChI=1S/C20H23BrN2O3S/c1-26-18-10-9-16(13-17(18)21)19(25)22-20(27)23(11-5-6-12-24)14-15-7-3-2-4-8-15/h2-4,7-10,13,24H,5-6,11-12,14H2,1H3,(H,22,25,27)