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

Systemtic Name: 1-(2-hydroxyethyl)-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-benzyl-1-(2-hydroxyethyl)-1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]thiourea Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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