N-(3-chloranyl-2-methyl-phenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)N2CCCN(CC2)C3=NC(=NS3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)N2CCCN(CC2)C3=NC(=NS3)C4=CC=CC=C4

InChI

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