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

Systemtic Name: 1-cyclopentyl-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea Openeye Name: 1-cyclopentyl-3-isobutyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea IUPAC Name: 1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea Traditional Name: 1-cyclopentyl-3-isobutyl-1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]thiourea Formula: C21H29N3OS MolecularWeight: 371.53946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=S)NCC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=S)NCC(C)C

InChI

InChI=1S/C21H29N3OS/c1-14(2)12-22-21(26)24(18-6-4-5-7-18)13-17-11-16-10-15(3)8-9-19(16)23-20(17)25/h8-11,14,18H,4-7,12-13H2,1-3H3,(H,22,26)(H,23,25)