1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-(3-hydroxypropyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-(3-hydroxypropyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-(3-hydroxypropyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-benzyl-1-(3-hydroxypropyl)-1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]thiourea Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCCO)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCCO)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2S/c1-16-8-9-20-18(12-16)13-19(21(27)24-20)15-25(10-5-11-26)22(28)23-14-17-6-3-2-4-7-17/h2-4,6-9,12-13,26H,5,10-11,14-15H2,1H3,(H,23,28)(H,24,27)