N-(3-chloranyl-2,6-diethyl-phenyl)-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanamide

Systemtic Name: N-(3-chloranyl-2,6-diethyl-phenyl)-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanamide Openeye Name: N-(3-chloro-2,6-diethyl-phenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide CAS Name: N-(3-chloro-2,6-diethylphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide IUPAC Name: N-(3-chloro-2,6-diethylphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide Traditional Name: N-(3-chloro-2,6-diethyl-phenyl)-3-(3-keto-1,4-benzothiazin-4-yl)propionamide Formula: C21H23ClN2O2S MolecularWeight: 402.93752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)CCN2C(=O)CSC3=CC=CC=C32

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)CCN2C(=O)CSC3=CC=CC=C32

InChI

InChI=1S/C21H23ClN2O2S/c1-3-14-9-10-16(22)15(4-2)21(14)23-19(25)11-12-24-17-7-5-6-8-18(17)27-13-20(24)26/h5-10H,3-4,11-13H2,1-2H3,(H,23,25)