1-(2-hydroxyethyl)-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-(2-hydroxyethyl)-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-(2-hydroxyethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-(2-hydroxyethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-(2-hydroxyethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-benzyl-1-(2-hydroxyethyl)-1-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]thiourea Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCO)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCO)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S/c1-15-6-5-9-17-12-18(20(26)23-19(15)17)14-24(10-11-25)21(27)22-13-16-7-3-2-4-8-16/h2-9,12,25H,10-11,13-14H2,1H3,(H,22,27)(H,23,26)