3-(cycloheptylamino)-1-(4-methoxyphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione

Systemtic Name: 3-(cycloheptylamino)-1-(4-methoxyphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 3-(cycloheptylamino)-1-(4-methoxyphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 3-(cycloheptylamino)-1-(4-methoxyphenyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 3-(cycloheptylamino)-1-(4-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 3-(cycloheptylamino)-1-(4-methoxyphenyl)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4CCCCCC4

InChI

InChI=1S/C24H26N2O3S/c1-29-19-15-13-18(14-16-19)26-23(27)21(25-17-9-5-2-3-6-10-17)22(24(26)28)30-20-11-7-4-8-12-20/h4,7-8,11-17,25H,2-3,5-6,9-10H2,1H3