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

Systemtic Name: 5-nitro-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: 5-nitro-N-[4-(4-phenylphenyl)-5-propyl-thiazol-2-yl]benzothiophene-2-carboxamide CAS Name: 5-nitro-N-[4-(4-phenylphenyl)-5-propyl-2-thiazolyl]-1-benzothiophene-2-carboxamide IUPAC Name: 5-nitro-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: 5-nitro-N-[4-(4-phenylphenyl)-5-propyl-thiazol-2-yl]benzothiophene-2-carboxamide Formula: C27H21N3O3S2 MolecularWeight: 499.60394

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(S1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CCCC1=C(N=C(S1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H21N3O3S2/c1-2-6-23-25(19-11-9-18(10-12-19)17-7-4-3-5-8-17)28-27(35-23)29-26(31)24-16-20-15-21(30(32)33)13-14-22(20)34-24/h3-5,7-16H,2,6H2,1H3,(H,28,29,31)