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

Systemtic Name: N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[4-(4-methoxyphenyl)-5-propyl-thiazol-2-yl]-3-nitro-benzamide CAS Name: N-[4-(4-methoxyphenyl)-5-propyl-2-thiazolyl]-3-nitrobenzamide IUPAC Name: N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[4-(4-methoxyphenyl)-5-propyl-thiazol-2-yl]-3-nitro-benzamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CCCC1=C(N=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H19N3O4S/c1-3-5-17-18(13-8-10-16(27-2)11-9-13)21-20(28-17)22-19(24)14-6-4-7-15(12-14)23(25)26/h4,6-12H,3,5H2,1-2H3,(H,21,22,24)