3-bromanyl-N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-4-(3-methylbutoxy)benzamide

Systemtic Name: 3-bromanyl-N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-4-(3-methylbutoxy)benzamide Openeye Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3-bromo-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3-bromo-4-(3-methylbutoxy)benzamide Traditional Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3-bromo-4-isoamoxy-benzamide Formula: C30H34BrN3O2S MolecularWeight: 580.57886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Br

InChI

InChI=1S/C30H34BrN3O2S/c1-22(2)15-20-36-27-14-13-25(21-26(27)31)29(35)32-30(37)34-18-16-33(17-19-34)28(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,21-22,28H,15-20H2,1-2H3,(H,32,35,37)