1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-imidazol-1-ylpropyl)thiourea

Systemtic Name: 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 1-(3,5-dimethylisoxazol-4-yl)-3-(3-imidazol-1-ylpropyl)thiourea CAS Name: 1-(3,5-dimethyl-4-isoxazolyl)-3-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 1-(3,5-dimethylisoxazol-4-yl)-3-(3-imidazol-1-ylpropyl)thiourea Formula: C12H17N5OS MolecularWeight: 279.36128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)NC(=S)NCCCN2C=CN=C2

Isomeric SMILES

CC1=C(C(=NO1)C)NC(=S)NCCCN2C=CN=C2

InChI

InChI=1S/C12H17N5OS/c1-9-11(10(2)18-16-9)15-12(19)14-4-3-6-17-7-5-13-8-17/h5,7-8H,3-4,6H2,1-2H3,(H2,14,15,19)