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

Systemtic Name: N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-3-bromanyl-4-butoxy-benzamide Openeye Name: N-[(3-amino-3-oxo-propyl)-benzyl-carbamothioyl]-3-bromo-4-butoxy-benzamide CAS Name: N-[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-sulfanylidenemethyl]-3-bromo-4-butoxybenzamide IUPAC Name: N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]-3-bromo-4-butoxybenzamide Traditional Name: N-[(3-amino-3-keto-propyl)-benzyl-thiocarbamoyl]-3-bromo-4-butoxy-benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N(CCC(=O)N)CC2=CC=CC=C2)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N(CCC(=O)N)CC2=CC=CC=C2)Br

InChI

InChI=1S/C22H26BrN3O3S/c1-2-3-13-29-19-10-9-17(14-18(19)23)21(28)25-22(30)26(12-11-20(24)27)15-16-7-5-4-6-8-16/h4-10,14H,2-3,11-13,15H2,1H3,(H2,24,27)(H,25,28,30)