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

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C

InChI

InChI=1S/C20H20N4O3S/c1-12-9-13(2)18-17(10-12)28-20(21-18)22-19(25)14-5-6-15(16(11-14)24(26)27)23-7-3-4-8-23/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,21,22,25)