N-tert-butyl-2-[4-[5-(4-chlorophenyl)thiophen-2-yl]carbonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[5-(4-chlorophenyl)thiophen-2-yl]carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[5-(4-chlorophenyl)-2-thiophenyl]-oxomethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]-1,4-diazepan-1-yl]acetamide Formula: C22H28ClN3O2S MolecularWeight: 433.99462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCCN(CC1)C(=O)C2=CC=C(S2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCCN(CC1)C(=O)C2=CC=C(S2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H28ClN3O2S/c1-22(2,3)24-20(27)15-25-11-4-12-26(14-13-25)21(28)19-10-9-18(29-19)16-5-7-17(23)8-6-16/h5-10H,4,11-15H2,1-3H3,(H,24,27)