3-bromanyl-N-[2-hydroxyethyl-(phenylmethyl)carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-[2-hydroxyethyl-(phenylmethyl)carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[benzyl(2-hydroxyethyl)carbamothioyl]-3-bromo-4-methoxy-benzamide CAS Name: 3-bromo-N-[[2-hydroxyethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[benzyl(2-hydroxyethyl)carbamothioyl]-3-bromo-4-methoxybenzamide Traditional Name: N-[benzyl(2-hydroxyethyl)thiocarbamoyl]-3-bromo-4-methoxy-benzamide Formula: C18H19BrN2O3S MolecularWeight: 423.32406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN2O3S/c1-24-16-8-7-14(11-15(16)19)17(23)20-18(25)21(9-10-22)12-13-5-3-2-4-6-13/h2-8,11,22H,9-10,12H2,1H3,(H,20,23,25)