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

Systemtic Name: 3-ethyl-1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-ethyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 3-ethyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-ethyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 1-benzyl-3-ethyl-1-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]thiourea Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CC=C3)C(=S)NCC

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CC=C3)C(=S)NCC

InChI

InChI=1S/C22H25N3OS/c1-3-16-10-11-20-18(12-16)13-19(21(26)24-20)15-25(22(27)23-4-2)14-17-8-6-5-7-9-17/h5-13H,3-4,14-15H2,1-2H3,(H,23,27)(H,24,26)