1-quinolin-2-yl-3-[6-(quinolin-2-ylcarbamothioylamino)hexyl]thiourea

Systemtic Name: 1-quinolin-2-yl-3-[6-(quinolin-2-ylcarbamothioylamino)hexyl]thiourea Openeye Name: 1-(2-quinolyl)-3-[6-(2-quinolylcarbamothioylamino)hexyl]thiourea CAS Name: 1-(2-quinolinyl)-3-[6-[[(2-quinolinylamino)-sulfanylidenemethyl]amino]hexyl]thiourea IUPAC Name: 1-quinolin-2-yl-3-[6-(quinolin-2-ylcarbamothioylamino)hexyl]thiourea Traditional Name: 1-(2-quinolyl)-3-[6-(2-quinolylthiocarbamoylamino)hexyl]thiourea Formula: C26H28N6S2 MolecularWeight: 488.67072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)NC(=S)NCCCCCCNC(=S)NC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)NC(=S)NCCCCCCNC(=S)NC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H28N6S2/c33-25(31-23-15-13-19-9-3-5-11-21(19)29-23)27-17-7-1-2-8-18-28-26(34)32-24-16-14-20-10-4-6-12-22(20)30-24/h3-6,9-16H,1-2,7-8,17-18H2,(H2,27,29,31,33)(H2,28,30,32,34)