4-(morpholin-4-ylmethyl)-N-[5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-(morpholin-4-ylmethyl)-N-[5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]benzamide Openeye Name: 4-(morpholinomethyl)-N-[5-[(3-nitrophenyl)methyl]thiazol-2-yl]benzamide CAS Name: 4-(4-morpholinylmethyl)-N-[5-[(3-nitrophenyl)methyl]-2-thiazolyl]benzamide IUPAC Name: 4-(morpholin-4-ylmethyl)-N-[5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]benzamide Traditional Name: 4-(morpholinomethyl)-N-[5-(3-nitrobenzyl)thiazol-2-yl]benzamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC=C(C=C2)C(=O)NC3=NC=C(S3)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CC2=CC=C(C=C2)C(=O)NC3=NC=C(S3)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4S/c27-21(18-6-4-16(5-7-18)15-25-8-10-30-11-9-25)24-22-23-14-20(31-22)13-17-2-1-3-19(12-17)26(28)29/h1-7,12,14H,8-11,13,15H2,(H,23,24,27)