N-[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-3-(azepan-1-ylsulfonyl)benzamide

Systemtic Name: N-[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-3-(azepan-1-ylsulfonyl)benzamide Openeye Name: N-[4-(2-amino-2-oxo-ethyl)thiazol-2-yl]-3-(azepan-1-ylsulfonyl)benzamide CAS Name: N-[4-(2-amino-2-oxoethyl)-2-thiazolyl]-3-(1-azepanylsulfonyl)benzamide IUPAC Name: N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(azepan-1-ylsulfonyl)benzamide Traditional Name: N-[4-(2-amino-2-keto-ethyl)thiazol-2-yl]-3-(azepan-1-ylsulfonyl)benzamide Formula: C18H22N4O4S2 MolecularWeight: 422.52168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC(=CS3)CC(=O)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC(=CS3)CC(=O)N

InChI

InChI=1S/C18H22N4O4S2/c19-16(23)11-14-12-27-18(20-14)21-17(24)13-6-5-7-15(10-13)28(25,26)22-8-3-1-2-4-9-22/h5-7,10,12H,1-4,8-9,11H2,(H2,19,23)(H,20,21,24)