N-[(4-chlorophenyl)methyl]-4-(1H-indol-6-ylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-(1H-indol-6-ylcarbonyl)piperazine-1-carbothioamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-(1H-indole-6-carbonyl)piperazine-1-carbothioamide CAS Name: N-[(4-chlorophenyl)methyl]-4-[1H-indol-6-yl(oxo)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-(1H-indole-6-carbonyl)piperazine-1-carbothioamide Traditional Name: N-(4-chlorobenzyl)-4-(1H-indole-6-carbonyl)piperazine-1-carbothioamide Formula: C21H21ClN4OS MolecularWeight: 412.93564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(C=C2)C=CN3)C(=S)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(C=C2)C=CN3)C(=S)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN4OS/c22-18-5-1-15(2-6-18)14-24-21(28)26-11-9-25(10-12-26)20(27)17-4-3-16-7-8-23-19(16)13-17/h1-8,13,23H,9-12,14H2,(H,24,28)