1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(oxolan-2-ylmethyl)-1-(phenylmethyl)thiourea

Systemtic Name: 1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(oxolan-2-ylmethyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-oxolanylmethyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(oxolan-2-ylmethyl)thiourea Traditional Name: 1-benzyl-1-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl]-3-(tetrahydrofurfuryl)thiourea Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC3=CC=CC=C3)C(=S)NCC4CCCO4

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC3=CC=CC=C3)C(=S)NCC4CCCO4

InChI

InChI=1S/C25H29N3O2S/c1-17-10-11-18(2)23-22(17)13-20(24(29)27-23)16-28(15-19-7-4-3-5-8-19)25(31)26-14-21-9-6-12-30-21/h3-5,7-8,10-11,13,21H,6,9,12,14-16H2,1-2H3,(H,26,31)(H,27,29)