4-[(2,5-dimethylphenyl)methyl]-3-oxidanylidene-N-[3-[(phenylmethyl)-propan-2-yl-amino]propyl]-1,4-benzothiazine-6-carboxamide

Systemtic Name: 4-[(2,5-dimethylphenyl)methyl]-3-oxidanylidene-N-[3-[(phenylmethyl)-propan-2-yl-amino]propyl]-1,4-benzothiazine-6-carboxamide Openeye Name: N-[3-[benzyl(isopropyl)amino]propyl]-4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide CAS Name: 4-[(2,5-dimethylphenyl)methyl]-3-oxo-N-[3-[(phenylmethyl)-propan-2-ylamino]propyl]-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[3-[benzyl(propan-2-yl)amino]propyl]-4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide Traditional Name: N-[3-[benzyl(isopropyl)amino]propyl]-4-(2,5-dimethylbenzyl)-3-keto-1,4-benzothiazine-6-carboxamide Formula: C31H37N3O2S MolecularWeight: 515.70938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C(=O)CSC3=C2C=C(C=C3)C(=O)NCCCN(CC4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C(=O)CSC3=C2C=C(C=C3)C(=O)NCCCN(CC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C31H37N3O2S/c1-22(2)33(19-25-9-6-5-7-10-25)16-8-15-32-31(36)26-13-14-29-28(18-26)34(30(35)21-37-29)20-27-17-23(3)11-12-24(27)4/h5-7,9-14,17-18,22H,8,15-16,19-21H2,1-4H3,(H,32,36)