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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide Openeye Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(3-chloro-4-methyl-phenyl)piperazine-1-carboxamide CAS Name: N-(3-chloro-4-methylphenyl)-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1-piperazinecarboxamide IUPAC Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide Traditional Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(3-chloro-4-methyl-phenyl)piperazine-1-carboxamide Formula: C21H22ClN5OS MolecularWeight: 427.95028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C3=NC(=NS3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C3=NC(=NS3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H22ClN5OS/c1-15-7-8-17(14-18(15)22)23-20(28)26-9-11-27(12-10-26)21-24-19(25-29-21)13-16-5-3-2-4-6-16/h2-8,14H,9-13H2,1H3,(H,23,28)