1-(6-methylquinolin-2-yl)-3-[6-[(6-methylquinolin-2-yl)carbamothioylamino]hexyl]thiourea

Systemtic Name: 1-(6-methylquinolin-2-yl)-3-[6-[(6-methylquinolin-2-yl)carbamothioylamino]hexyl]thiourea Openeye Name: 1-(6-methyl-2-quinolyl)-3-[6-[(6-methyl-2-quinolyl)carbamothioylamino]hexyl]thiourea CAS Name: 1-(6-methyl-2-quinolinyl)-3-[6-[[[(6-methyl-2-quinolinyl)amino]-sulfanylidenemethyl]amino]hexyl]thiourea IUPAC Name: 1-(6-methylquinolin-2-yl)-3-[6-[(6-methylquinolin-2-yl)carbamothioylamino]hexyl]thiourea Traditional Name: 1-(6-methyl-2-quinolyl)-3-[6-[(6-methyl-2-quinolyl)thiocarbamoylamino]hexyl]thiourea Formula: C28H32N6S2 MolecularWeight: 516.72388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2)NC(=S)NCCCCCCNC(=S)NC3=NC4=C(C=C3)C=C(C=C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2)NC(=S)NCCCCCCNC(=S)NC3=NC4=C(C=C3)C=C(C=C4)C

InChI

InChI=1S/C28H32N6S2/c1-19-7-11-23-21(17-19)9-13-25(31-23)33-27(35)29-15-5-3-4-6-16-30-28(36)34-26-14-10-22-18-20(2)8-12-24(22)32-26/h7-14,17-18H,3-6,15-16H2,1-2H3,(H2,29,31,33,35)(H2,30,32,34,36)