1-butyl-3-[(Z)-(5-oxidanylidene-1,2-diphenyl-pyrrolidin-3-ylidene)amino]thiourea

Systemtic Name: 1-butyl-3-[(Z)-(5-oxidanylidene-1,2-diphenyl-pyrrolidin-3-ylidene)amino]thiourea Openeye Name: 1-butyl-3-[(Z)-(5-oxo-1,2-diphenyl-pyrrolidin-3-ylidene)amino]thiourea CAS Name: 1-butyl-3-[(Z)-(5-oxo-1,2-diphenyl-3-pyrrolidinylidene)amino]thiourea IUPAC Name: 1-butyl-3-[(Z)-(5-oxo-1,2-diphenylpyrrolidin-3-ylidene)amino]thiourea Traditional Name: 1-butyl-3-[(Z)-(5-keto-1,2-diphenyl-pyrrolidin-3-ylidene)amino]thiourea Formula: C21H24N4OS MolecularWeight: 380.50646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=C1CC(=O)N(C1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=S)N/N=C\1/CC(=O)N(C1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4OS/c1-2-3-14-22-21(27)24-23-18-15-19(26)25(17-12-8-5-9-13-17)20(18)16-10-6-4-7-11-16/h4-13,20H,2-3,14-15H2,1H3,(H2,22,24,27)/b23-18-