1,3-bis(8-chloranylquinolin-5-yl)-1,3-bis[(4-nitrophenyl)sulfonyl]thiourea

Systemtic Name: 1,3-bis(8-chloranylquinolin-5-yl)-1,3-bis[(4-nitrophenyl)sulfonyl]thiourea Openeye Name: 1,3-bis(8-chloro-5-quinolyl)-1,3-bis[(4-nitrophenyl)sulfonyl]thiourea CAS Name: 1,3-bis(8-chloro-5-quinolinyl)-1,3-bis[(4-nitrophenyl)sulfonyl]thiourea IUPAC Name: 1,3-bis(8-chloroquinolin-5-yl)-1,3-bis[(4-nitrophenyl)sulfonyl]thiourea Traditional Name: 1,3-bis(8-chloro-5-quinolyl)-1,3-dinosyl-thiourea Formula: C31H18Cl2N6O8S3 MolecularWeight: 769.61102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2N=C1)Cl)N(C(=S)N(C3=C4C=CC=NC4=C(C=C3)Cl)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-])S(=O)(=O)C6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CC(=C2N=C1)Cl)N(C(=S)N(C3=C4C=CC=NC4=C(C=C3)Cl)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-])S(=O)(=O)C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C31H18Cl2N6O8S3/c32-25-13-15-27(23-3-1-17-34-29(23)25)36(49(44,45)21-9-5-19(6-10-21)38(40)41)31(48)37(28-16-14-26(33)30-24(28)4-2-18-35-30)50(46,47)22-11-7-20(8-12-22)39(42)43/h1-18H