N-(3-methylphenyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide

Systemtic Name: N-(3-methylphenyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide Openeye Name: N-(m-tolyl)-4-(4-phenylthiazol-2-yl)piperazine-1-carbothioamide CAS Name: N-(3-methylphenyl)-4-(4-phenyl-2-thiazolyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-methylphenyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide Traditional Name: N-(m-tolyl)-4-(4-phenylthiazol-2-yl)piperazine-1-carbothioamide Formula: C21H22N4S2 MolecularWeight: 394.55618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4S2/c1-16-6-5-9-18(14-16)22-20(26)24-10-12-25(13-11-24)21-23-19(15-27-21)17-7-3-2-4-8-17/h2-9,14-15H,10-13H2,1H3,(H,22,26)