4-methyl-3-nitro-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide

Systemtic Name: 4-methyl-3-nitro-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide Openeye Name: 4-methyl-3-nitro-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide CAS Name: 4-methyl-3-nitro-N-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-methyl-3-nitro-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide Traditional Name: 4-methyl-3-nitro-N-(2-pyrrolidino-1,3-benzothiazol-6-yl)benzamide Formula: C19H18N4O3S MolecularWeight: 382.43622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O3S/c1-12-4-5-13(10-16(12)23(25)26)18(24)20-14-6-7-15-17(11-14)27-19(21-15)22-8-2-3-9-22/h4-7,10-11H,2-3,8-9H2,1H3,(H,20,24)