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

Systemtic Name: 1-[2-(4-ethylpiperazin-1-yl)-4-methyl-quinolin-6-yl]-3-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-[2-(4-ethylpiperazin-1-yl)-4-methyl-6-quinolyl]-3-(2-thienylmethyl)thiourea CAS Name: 1-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]-3-(thiophen-2-ylmethyl)thiourea IUPAC Name: 1-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-[2-(4-ethylpiperazino)-4-methyl-6-quinolyl]-3-(2-thenyl)thiourea Formula: C22H27N5S2 MolecularWeight: 425.61328

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)NCC4=CC=CS4)C(=C2)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)NCC4=CC=CS4)C(=C2)C

InChI

InChI=1S/C22H27N5S2/c1-3-26-8-10-27(11-9-26)21-13-16(2)19-14-17(6-7-20(19)25-21)24-22(28)23-15-18-5-4-12-29-18/h4-7,12-14H,3,8-11,15H2,1-2H3,(H2,23,24,28)