N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-nitro-4-pyrrolidino-benzamide Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H22N4O5S/c1-30-19-8-6-14(12-20(19)31-2)16-13-32-22(23-16)24-21(27)15-5-7-17(18(11-15)26(28)29)25-9-3-4-10-25/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,23,24,27)