1-cyclopentyl-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea

Systemtic Name: 1-cyclopentyl-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Openeye Name: 1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea CAS Name: 1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea IUPAC Name: 1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea Traditional Name: 1-cyclopentyl-1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3OS/c1-18-11-12-23-20(15-18)16-21(24(29)27-23)17-28(22-9-5-6-10-22)25(30)26-14-13-19-7-3-2-4-8-19/h2-4,7-8,11-12,15-16,22H,5-6,9-10,13-14,17H2,1H3,(H,26,30)(H,27,29)