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

Systemtic Name: 2-(2-azanylidene-1,3-thiazol-3-yl)-N-[3-(azepan-1-ylsulfonyl)phenyl]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-iminothiazol-3-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(2-imino-3-thiazolyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-imino-4-thiazolin-3-yl)acetamide Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3S2/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)