N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanamide

Systemtic Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanamide Openeye Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-4-(5-chloro-2-thienyl)-4-oxo-butanamide CAS Name: N-[4-(1-azepanylmethyl)-2-thiazolyl]-4-(5-chloro-2-thiophenyl)-4-oxobutanamide IUPAC Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide Traditional Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-4-(5-chloro-2-thienyl)-4-keto-butyramide Formula: C18H22ClN3O2S2 MolecularWeight: 411.96918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CSC(=N2)NC(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CCCN(CC1)CC2=CSC(=N2)NC(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H22ClN3O2S2/c19-16-7-6-15(26-16)14(23)5-8-17(24)21-18-20-13(12-25-18)11-22-9-3-1-2-4-10-22/h6-7,12H,1-5,8-11H2,(H,20,21,24)