[3-[(4-methoxyphenyl)amino]-4,5,6,7-tetrahydro-2-benzothiophen-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [3-[(4-methoxyphenyl)amino]-4,5,6,7-tetrahydro-2-benzothiophen-1-yl]-(4-nitrophenyl)methanone Openeye Name: [3-(4-methoxyanilino)-4,5,6,7-tetrahydro-2-benzothiophen-1-yl]-(4-nitrophenyl)methanone CAS Name: [3-(4-methoxyanilino)-4,5,6,7-tetrahydro-2-benzothiophen-1-yl]-(4-nitrophenyl)methanone IUPAC Name: [3-(4-methoxyanilino)-4,5,6,7-tetrahydro-2-benzothiophen-1-yl]-(4-nitrophenyl)methanone Traditional Name: (4-nitrophenyl)-[3-(p-anisidino)-4,5,6,7-tetrahydroisobenzothiophen-1-yl]methanone Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=C3CCCCC3=C(S2)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC2=C3CCCCC3=C(S2)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O4S/c1-28-17-12-8-15(9-13-17)23-22-19-5-3-2-4-18(19)21(29-22)20(25)14-6-10-16(11-7-14)24(26)27/h6-13,23H,2-5H2,1H3