5-bromanyl-2-(3-methylbutoxy)-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 5-bromanyl-2-(3-methylbutoxy)-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-5-bromo-2-isopentyloxy-benzamide CAS Name: 5-bromo-2-(3-methylbutoxy)-N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-5-bromo-2-(3-methylbutoxy)benzamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-5-bromo-2-isoamoxy-benzamide Formula: C24H30BrN3O2S MolecularWeight: 504.4829

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H30BrN3O2S/c1-18(2)10-15-30-22-9-8-20(25)16-21(22)23(29)26-24(31)28-13-11-27(12-14-28)17-19-6-4-3-5-7-19/h3-9,16,18H,10-15,17H2,1-2H3,(H,26,29,31)