N-[3-[bis(2-methylpropyl)amino]propyl]-3-oxidanylidene-4-(phenylmethyl)-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-[3-[bis(2-methylpropyl)amino]propyl]-3-oxidanylidene-4-(phenylmethyl)-1,4-benzothiazine-6-carboxamide Openeye Name: 4-benzyl-N-[3-(diisobutylamino)propyl]-3-oxo-1,4-benzothiazine-6-carboxamide CAS Name: N-[3-[bis(2-methylpropyl)amino]propyl]-3-oxo-4-(phenylmethyl)-1,4-benzothiazine-6-carboxamide IUPAC Name: 4-benzyl-N-[3-[bis(2-methylpropyl)amino]propyl]-3-oxo-1,4-benzothiazine-6-carboxamide Traditional Name: 4-benzyl-N-[3-(diisobutylamino)propyl]-3-keto-1,4-benzothiazine-6-carboxamide Formula: C27H37N3O2S MolecularWeight: 467.66658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCCNC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC3=CC=CC=C3)CC(C)C

Isomeric SMILES

CC(C)CN(CCCNC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC3=CC=CC=C3)CC(C)C

InChI

InChI=1S/C27H37N3O2S/c1-20(2)16-29(17-21(3)4)14-8-13-28-27(32)23-11-12-25-24(15-23)30(26(31)19-33-25)18-22-9-6-5-7-10-22/h5-7,9-12,15,20-21H,8,13-14,16-19H2,1-4H3,(H,28,32)