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

Systemtic Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-(4-methyl-2-pyrrolidin-1-yl-quinolin-6-yl)thiourea Openeye Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-(4-methyl-2-pyrrolidin-1-yl-6-quinolyl)thiourea CAS Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[4-methyl-2-(1-pyrrolidinyl)-6-quinolinyl]thiourea IUPAC Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea Traditional Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-(4-methyl-2-pyrrolidino-6-quinolyl)thiourea Formula: C27H33N5S MolecularWeight: 459.64942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NCCCN3CCC4=CC=CC=C4C3)N5CCCC5

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NCCCN3CCC4=CC=CC=C4C3)N5CCCC5

InChI

InChI=1S/C27H33N5S/c1-20-17-26(32-14-4-5-15-32)30-25-10-9-23(18-24(20)25)29-27(33)28-12-6-13-31-16-11-21-7-2-3-8-22(21)19-31/h2-3,7-10,17-18H,4-6,11-16,19H2,1H3,(H2,28,29,33)