1-[2-(4-ethylpiperazin-1-yl)-4-methyl-quinolin-6-yl]-3-[(4-methylphenyl)methyl]thiourea

Systemtic Name: 1-[2-(4-ethylpiperazin-1-yl)-4-methyl-quinolin-6-yl]-3-[(4-methylphenyl)methyl]thiourea Openeye Name: 1-[2-(4-ethylpiperazin-1-yl)-4-methyl-6-quinolyl]-3-(p-tolylmethyl)thiourea CAS Name: 1-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]-3-[(4-methylphenyl)methyl]thiourea IUPAC Name: 1-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-[(4-methylphenyl)methyl]thiourea Traditional Name: 1-[2-(4-ethylpiperazino)-4-methyl-6-quinolyl]-3-(4-methylbenzyl)thiourea Formula: C25H31N5S MolecularWeight: 433.61214

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)NCC4=CC=C(C=C4)C)C(=C2)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)NCC4=CC=C(C=C4)C)C(=C2)C

InChI

InChI=1S/C25H31N5S/c1-4-29-11-13-30(14-12-29)24-15-19(3)22-16-21(9-10-23(22)28-24)27-25(31)26-17-20-7-5-18(2)6-8-20/h5-10,15-16H,4,11-14,17H2,1-3H3,(H2,26,27,31)