1-(3,4-dimethylphenyl)-3-(2,3-dipyridin-2-ylquinoxalin-6-yl)thiourea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-(2,3-dipyridin-2-ylquinoxalin-6-yl)thiourea Openeye Name: 1-[2,3-bis(2-pyridyl)quinoxalin-6-yl]-3-(3,4-dimethylphenyl)thiourea CAS Name: 1-[2,3-bis(2-pyridinyl)-6-quinoxalinyl]-3-(3,4-dimethylphenyl)thiourea IUPAC Name: 1-(3,4-dimethylphenyl)-3-(2,3-dipyridin-2-ylquinoxalin-6-yl)thiourea Traditional Name: 1-[2,3-bis(2-pyridyl)quinoxalin-6-yl]-3-(3,4-dimethylphenyl)thiourea Formula: C27H22N6S MolecularWeight: 462.56878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=N4)C5=CC=CC=N5)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=N4)C5=CC=CC=N5)C

InChI

InChI=1S/C27H22N6S/c1-17-9-10-19(15-18(17)2)30-27(34)31-20-11-12-21-24(16-20)33-26(23-8-4-6-14-29-23)25(32-21)22-7-3-5-13-28-22/h3-16H,1-2H3,(H2,30,31,34)