N-(2-methylphenyl)-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide

Systemtic Name: N-(2-methylphenyl)-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide Openeye Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(o-tolyl)piperazine-1-carboxamide CAS Name: N-(2-methylphenyl)-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1-piperazinecarboxamide IUPAC Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2-methylphenyl)piperazine-1-carboxamide Traditional Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(o-tolyl)piperazine-1-carboxamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)N2CCN(CC2)C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)N2CCN(CC2)C3=NC(=NS3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N5OS/c1-16-7-5-6-10-18(16)22-20(27)25-11-13-26(14-12-25)21-23-19(24-28-21)15-17-8-3-2-4-9-17/h2-10H,11-15H2,1H3,(H,22,27)