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

Systemtic Name: N-(4-butyl-2-methyl-phenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-(4-butyl-2-methyl-phenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide CAS Name: N-(4-butyl-2-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-butyl-2-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-(4-butyl-2-methyl-phenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC(=NS3)C4=CC=CC=C4)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC(=NS3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H31N5OS/c1-3-4-9-20-12-13-22(19(2)18-20)26-24(31)29-14-8-15-30(17-16-29)25-27-23(28-32-25)21-10-6-5-7-11-21/h5-7,10-13,18H,3-4,8-9,14-17H2,1-2H3,(H,26,31)