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

Systemtic Name: N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-3-bromanyl-4-hexoxy-benzamide Openeye Name: N-[(3-amino-3-oxo-propyl)-benzyl-carbamothioyl]-3-bromo-4-hexoxy-benzamide CAS Name: N-[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-sulfanylidenemethyl]-3-bromo-4-hexoxybenzamide IUPAC Name: N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]-3-bromo-4-hexoxybenzamide Traditional Name: N-[(3-amino-3-keto-propyl)-benzyl-thiocarbamoyl]-3-bromo-4-hexoxy-benzamide Formula: C24H30BrN3O3S MolecularWeight: 520.4823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N(CCC(=O)N)CC2=CC=CC=C2)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N(CCC(=O)N)CC2=CC=CC=C2)Br

InChI

InChI=1S/C24H30BrN3O3S/c1-2-3-4-8-15-31-21-12-11-19(16-20(21)25)23(30)27-24(32)28(14-13-22(26)29)17-18-9-6-5-7-10-18/h5-7,9-12,16H,2-4,8,13-15,17H2,1H3,(H2,26,29)(H,27,30,32)