N-[2-(diethylamino)-2-thiophen-3-yl-ethyl]-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanamide

Systemtic Name: N-[2-(diethylamino)-2-thiophen-3-yl-ethyl]-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanamide Openeye Name: N-[2-(diethylamino)-2-(3-thienyl)ethyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide CAS Name: N-[2-(diethylamino)-2-(3-thiophenyl)ethyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide IUPAC Name: N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide Traditional Name: N-[2-(diethylamino)-2-(3-thienyl)ethyl]-3-(3-keto-1,4-benzothiazin-4-yl)propionamide Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)CCN1C(=O)CSC2=CC=CC=C21)C3=CSC=C3

Isomeric SMILES

CCN(CC)C(CNC(=O)CCN1C(=O)CSC2=CC=CC=C21)C3=CSC=C3

InChI

InChI=1S/C21H27N3O2S2/c1-3-23(4-2)18(16-10-12-27-14-16)13-22-20(25)9-11-24-17-7-5-6-8-19(17)28-15-21(24)26/h5-8,10,12,14,18H,3-4,9,11,13,15H2,1-2H3,(H,22,25)