N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-(4-methoxyphenyl)-5-methyl-2-thiazolyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-3-nitro-4-pyrrolidino-benzamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H22N4O4S/c1-14-20(15-5-8-17(30-2)9-6-15)23-22(31-14)24-21(27)16-7-10-18(19(13-16)26(28)29)25-11-3-4-12-25/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,24,27)