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

Systemtic Name: 3-bromanyl-N-[(phenylmethyl)carbamothioyl]-4-propoxy-benzamide Openeye Name: N-(benzylcarbamothioyl)-3-bromo-4-propoxy-benzamide CAS Name: 3-bromo-N-[[(phenylmethyl)amino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-(benzylcarbamothioyl)-3-bromo-4-propoxybenzamide Traditional Name: N-(benzylthiocarbamoyl)-3-bromo-4-propoxy-benzamide Formula: C18H19BrN2O2S MolecularWeight: 407.32466

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=CC=C2)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=CC=C2)Br

InChI

InChI=1S/C18H19BrN2O2S/c1-2-10-23-16-9-8-14(11-15(16)19)17(22)21-18(24)20-12-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H2,20,21,22,24)