1-(3-methylbutyl)-3-[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]thiourea Openeye Name: 1-isopentyl-3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[1-oxo-3-(2-oxo-1,3-benzoxazol-3-yl)propyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]thiourea Traditional Name: 1-isoamyl-3-[3-(2-keto-1,3-benzoxazol-3-yl)propanoylamino]thiourea Formula: C16H22N4O3S MolecularWeight: 350.43588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)CCN1C2=CC=CC=C2OC1=O

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)CCN1C2=CC=CC=C2OC1=O

InChI

InChI=1S/C16H22N4O3S/c1-11(2)7-9-17-15(24)19-18-14(21)8-10-20-12-5-3-4-6-13(12)23-16(20)22/h3-6,11H,7-10H2,1-2H3,(H,18,21)(H2,17,19,24)