1-(6-methylquinolin-2-yl)-3-[4-[(6-methylquinolin-2-yl)carbamothioylamino]butyl]thiourea

Systemtic Name: 1-(6-methylquinolin-2-yl)-3-[4-[(6-methylquinolin-2-yl)carbamothioylamino]butyl]thiourea Openeye Name: 1-(6-methyl-2-quinolyl)-3-[4-[(6-methyl-2-quinolyl)carbamothioylamino]butyl]thiourea CAS Name: 1-(6-methyl-2-quinolinyl)-3-[4-[[[(6-methyl-2-quinolinyl)amino]-sulfanylidenemethyl]amino]butyl]thiourea IUPAC Name: 1-(6-methylquinolin-2-yl)-3-[4-[(6-methylquinolin-2-yl)carbamothioylamino]butyl]thiourea Traditional Name: 1-(6-methyl-2-quinolyl)-3-[4-[(6-methyl-2-quinolyl)thiocarbamoylamino]butyl]thiourea Formula: C26H28N6S2 MolecularWeight: 488.67072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N6S2/c1-17-5-9-21-19(15-17)7-11-23(29-21)31-25(33)27-13-3-4-14-28-26(34)32-24-12-8-20-16-18(2)6-10-22(20)30-24/h5-12,15-16H,3-4,13-14H2,1-2H3,(H2,27,29,31,33)(H2,28,30,32,34)