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

Systemtic Name: N-[3-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]amino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]amino]-3-keto-propyl]-4-nitro-benzamide Formula: C21H20N4O6S MolecularWeight: 456.4717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O6S/c1-30-17-8-5-14(11-18(17)31-2)16-12-32-21(23-16)24-19(26)9-10-22-20(27)13-3-6-15(7-4-13)25(28)29/h3-8,11-12H,9-10H2,1-2H3,(H,22,27)(H,23,24,26)