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

Systemtic Name: 1-[2-(4-ethylpiperazin-1-yl)-4-methyl-quinolin-6-yl]-3-(3-methoxypropyl)thiourea Openeye Name: 1-[2-(4-ethylpiperazin-1-yl)-4-methyl-6-quinolyl]-3-(3-methoxypropyl)thiourea CAS Name: 1-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]-3-(3-methoxypropyl)thiourea IUPAC Name: 1-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(3-methoxypropyl)thiourea Traditional Name: 1-[2-(4-ethylpiperazino)-4-methyl-6-quinolyl]-3-(3-methoxypropyl)thiourea Formula: C21H31N5OS MolecularWeight: 401.56874

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)NCCCOC)C(=C2)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)NCCCOC)C(=C2)C

InChI

InChI=1S/C21H31N5OS/c1-4-25-9-11-26(12-10-25)20-14-16(2)18-15-17(6-7-19(18)24-20)23-21(28)22-8-5-13-27-3/h6-7,14-15H,4-5,8-13H2,1-3H3,(H2,22,23,28)