1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[2-(4-ethylpiperazin-1-yl)-4-methyl-quinolin-6-yl]thiourea

Systemtic Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[2-(4-ethylpiperazin-1-yl)-4-methyl-quinolin-6-yl]thiourea Openeye Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[2-(4-ethylpiperazin-1-yl)-4-methyl-6-quinolyl]thiourea CAS Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]thiourea IUPAC Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]thiourea Traditional Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[2-(4-ethylpiperazino)-4-methyl-6-quinolyl]thiourea Formula: C29H38N6S MolecularWeight: 502.71722

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)NCCCN4CCC5=CC=CC=C5C4)C(=C2)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)NCCCN4CCC5=CC=CC=C5C4)C(=C2)C

InChI

InChI=1S/C29H38N6S/c1-3-33-15-17-35(18-16-33)28-19-22(2)26-20-25(9-10-27(26)32-28)31-29(36)30-12-6-13-34-14-11-23-7-4-5-8-24(23)21-34/h4-5,7-10,19-20H,3,6,11-18,21H2,1-2H3,(H2,30,31,36)