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

Systemtic Name: N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanamide Openeye Name: N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide CAS Name: N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide IUPAC Name: N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide Traditional Name: N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-keto-1,4-benzothiazin-4-yl)propionamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3S/c1-4-26(5-2)21(18-9-8-10-19(15-18)30-3)16-25-23(28)13-14-27-20-11-6-7-12-22(20)31-17-24(27)29/h6-12,15,21H,4-5,13-14,16-17H2,1-3H3,(H,25,28)