1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenyl-1-(phenylmethyl)thiourea

Systemtic Name: 1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenyl-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-thiourea CAS Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylthiourea Traditional Name: 1-benzyl-1-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]-3-phenyl-thiourea Formula: C26H25N3OS MolecularWeight: 427.5612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)C(=S)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)C(=S)NC4=CC=CC=C4)C

InChI

InChI=1S/C26H25N3OS/c1-18-13-14-21-15-22(25(30)28-24(21)19(18)2)17-29(16-20-9-5-3-6-10-20)26(31)27-23-11-7-4-8-12-23/h3-15H,16-17H2,1-2H3,(H,27,31)(H,28,30)