2-(2-azanylidene-1,3-thiazol-3-yl)-N-[3-(azepan-1-ylsulfonyl)phenyl]ethanamide hydrochloride

Systemtic Name: 2-(2-azanylidene-1,3-thiazol-3-yl)-N-[3-(azepan-1-ylsulfonyl)phenyl]ethanamide hydrochloride Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-iminothiazol-3-yl)acetamide hydrochloride CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(2-imino-3-thiazolyl)acetamide hydrochloride IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide hydrochloride Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-imino-4-thiazolin-3-yl)acetamide hydrochloride Formula: C17H23ClN4O3S2 MolecularWeight: 430.97252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C=CSC3=N.Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C=CSC3=N.Cl

InChI

InChI=1S/C17H22N4O3S2.ClH/c18-17-20(10-11-25-17)13-16(22)19-14-6-5-7-15(12-14)26(23,24)21-8-3-1-2-4-9-21;/h5-7,10-12,18H,1-4,8-9,13H2,(H,19,22);1H