N-[4,4-bis(4-dimethylaminophenyl)-6-nitro-3,1-benzothiazin-2-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[4,4-bis(4-dimethylaminophenyl)-6-nitro-3,1-benzothiazin-2-yl]-2,2-dimethyl-propanamide Openeye Name: N-[4,4-bis(4-dimethylaminophenyl)-6-nitro-3,1-benzothiazin-2-yl]-2,2-dimethyl-propanamide CAS Name: N-[4,4-bis(4-dimethylaminophenyl)-6-nitro-3,1-benzothiazin-2-yl]-2,2-dimethylpropanamide IUPAC Name: N-[4,4-bis(4-dimethylaminophenyl)-6-nitro-3,1-benzothiazin-2-yl]-2,2-dimethylpropanamide Traditional Name: N-[4,4-bis(4-dimethylaminophenyl)-6-nitro-3,1-benzothiazin-2-yl]-2,2-dimethyl-propionamide Formula: C29H33N5O3S MolecularWeight: 531.66902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(S1)(C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CC(C)(C)C(=O)NC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(S1)(C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C29H33N5O3S/c1-28(2,3)26(35)31-27-30-25-17-16-23(34(36)37)18-24(25)29(38-27,19-8-12-21(13-9-19)32(4)5)20-10-14-22(15-11-20)33(6)7/h8-18H,1-7H3,(H,30,31,35)