N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-3-iodanyl-4-methyl-benzamide

Systemtic Name: N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-3-iodanyl-4-methyl-benzamide Openeye Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3-iodo-4-methyl-benzamide CAS Name: N-[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3-iodo-4-methylbenzamide Traditional Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3-iodo-4-methyl-benzamide Formula: C26H26IN3OS MolecularWeight: 555.47361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)I

InChI

InChI=1S/C26H26IN3OS/c1-19-12-13-22(18-23(19)27)25(31)28-26(32)30-16-14-29(15-17-30)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,24H,14-17H2,1H3,(H,28,31,32)