3-iodanyl-4-methoxy-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 3-iodanyl-4-methoxy-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-3-iodo-4-methoxy-benzamide CAS Name: 3-iodo-4-methoxy-N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-3-iodo-4-methoxybenzamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-3-iodo-4-methoxy-benzamide Formula: C20H22IN3O2S MolecularWeight: 495.37705

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3)I

InChI

InChI=1S/C20H22IN3O2S/c1-26-18-8-7-16(13-17(18)21)19(25)22-20(27)24-11-9-23(10-12-24)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,22,25,27)