N-[4-(cyclopropylcarbamoylamino)phenyl]-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanamide

Systemtic Name: N-[4-(cyclopropylcarbamoylamino)phenyl]-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanamide Openeye Name: N-[4-(cyclopropylcarbamoylamino)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide CAS Name: N-[4-[[(cyclopropylamino)-oxomethyl]amino]phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide IUPAC Name: N-[4-(cyclopropylcarbamoylamino)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide Traditional Name: N-[4-(cyclopropylcarbamoylamino)phenyl]-3-(3-keto-1,4-benzothiazin-4-yl)propionamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)NC2=CC=C(C=C2)NC(=O)CCN3C(=O)CSC4=CC=CC=C43

Isomeric SMILES

C1CC1NC(=O)NC2=CC=C(C=C2)NC(=O)CCN3C(=O)CSC4=CC=CC=C43

InChI

InChI=1S/C21H22N4O3S/c26-19(11-12-25-17-3-1-2-4-18(17)29-13-20(25)27)22-14-5-7-15(8-6-14)23-21(28)24-16-9-10-16/h1-8,16H,9-13H2,(H,22,26)(H2,23,24,28)