5-nitro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 5-nitro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: 5-nitro-N-[4-(4-propoxyphenyl)thiazol-2-yl]benzothiophene-2-carboxamide CAS Name: 5-nitro-N-[4-(4-propoxyphenyl)-2-thiazolyl]-1-benzothiophene-2-carboxamide IUPAC Name: 5-nitro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: 5-nitro-N-[4-(4-propoxyphenyl)thiazol-2-yl]benzothiophene-2-carboxamide Formula: C21H17N3O4S2 MolecularWeight: 439.50738

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O4S2/c1-2-9-28-16-6-3-13(4-7-16)17-12-29-21(22-17)23-20(25)19-11-14-10-15(24(26)27)5-8-18(14)30-19/h3-8,10-12H,2,9H2,1H3,(H,22,23,25)