N-(2-chloranyl-6-methyl-phenyl)-4-thiophen-2-ylcarbonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-4-thiophen-2-ylcarbonyl-1,4-diazepane-1-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-4-[oxo(thiophen-2-yl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-4-(2-thenoyl)-1,4-diazepane-1-carboxamide Formula: C18H20ClN3O2S MolecularWeight: 377.8883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)NC(=O)N2CCCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)N2CCCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C18H20ClN3O2S/c1-13-5-2-6-14(19)16(13)20-18(24)22-9-4-8-21(10-11-22)17(23)15-7-3-12-25-15/h2-3,5-7,12H,4,8-11H2,1H3,(H,20,24)