2-(2-azanylidene-1,3-thiazol-3-yl)-N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]ethanamide

Systemtic Name: 2-(2-azanylidene-1,3-thiazol-3-yl)-N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(2-iminothiazol-3-yl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(2-imino-3-thiazolyl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(2-imino-4-thiazolin-3-yl)acetamide Formula: C17H21ClN4O3S2 MolecularWeight: 428.95664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN4O3S2/c18-14-6-5-13(27(24,25)22-7-3-1-2-4-8-22)11-15(14)20-16(23)12-21-9-10-26-17(21)19/h5-6,9-11,19H,1-4,7-8,12H2,(H,20,23)