N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-3-bromanyl-4-ethoxy-benzamide

Systemtic Name: N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-3-bromanyl-4-ethoxy-benzamide Openeye Name: N-[(3-amino-3-oxo-propyl)-benzyl-carbamothioyl]-3-bromo-4-ethoxy-benzamide CAS Name: N-[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-sulfanylidenemethyl]-3-bromo-4-ethoxybenzamide IUPAC Name: N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]-3-bromo-4-ethoxybenzamide Traditional Name: N-[(3-amino-3-keto-propyl)-benzyl-thiocarbamoyl]-3-bromo-4-ethoxy-benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)N(CCC(=O)N)CC2=CC=CC=C2)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)N(CCC(=O)N)CC2=CC=CC=C2)Br

InChI

InChI=1S/C20H22BrN3O3S/c1-2-27-17-9-8-15(12-16(17)21)19(26)23-20(28)24(11-10-18(22)25)13-14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3,(H2,22,25)(H,23,26,28)