1-(4-methyl-2-pyrrolidin-1-yl-quinolin-6-yl)-3-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]thiourea

Systemtic Name: 1-(4-methyl-2-pyrrolidin-1-yl-quinolin-6-yl)-3-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]thiourea Openeye Name: 1-[3-(4-benzylpiperazin-1-yl)propyl]-3-(4-methyl-2-pyrrolidin-1-yl-6-quinolyl)thiourea CAS Name: 1-[4-methyl-2-(1-pyrrolidinyl)-6-quinolinyl]-3-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]thiourea IUPAC Name: 1-[3-(4-benzylpiperazin-1-yl)propyl]-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea Traditional Name: 1-[3-(4-benzylpiperazino)propyl]-3-(4-methyl-2-pyrrolidino-6-quinolyl)thiourea Formula: C29H38N6S MolecularWeight: 502.71722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NCCCN3CCN(CC3)CC4=CC=CC=C4)N5CCCC5

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NCCCN3CCN(CC3)CC4=CC=CC=C4)N5CCCC5

InChI

InChI=1S/C29H38N6S/c1-23-20-28(35-14-5-6-15-35)32-27-11-10-25(21-26(23)27)31-29(36)30-12-7-13-33-16-18-34(19-17-33)22-24-8-3-2-4-9-24/h2-4,8-11,20-21H,5-7,12-19,22H2,1H3,(H2,30,31,36)