N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-3-bromanyl-4-(2-methylpropoxy)benzamide

Systemtic Name: N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-3-bromanyl-4-(2-methylpropoxy)benzamide Openeye Name: N-[(3-amino-3-oxo-propyl)-benzyl-carbamothioyl]-3-bromo-4-isobutoxy-benzamide CAS Name: N-[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-sulfanylidenemethyl]-3-bromo-4-(2-methylpropoxy)benzamide IUPAC Name: N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]-3-bromo-4-(2-methylpropoxy)benzamide Traditional Name: N-[(3-amino-3-keto-propyl)-benzyl-thiocarbamoyl]-3-bromo-4-isobutoxy-benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O3S/c1-15(2)14-29-19-9-8-17(12-18(19)23)21(28)25-22(30)26(11-10-20(24)27)13-16-6-4-3-5-7-16/h3-9,12,15H,10-11,13-14H2,1-2H3,(H2,24,27)(H,25,28,30)