1-[3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]-3-phenethyl-thiourea

Systemtic Name: 1-[3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]-3-phenethyl-thiourea Openeye Name: 1-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-3-phenethyl-thiourea CAS Name: 1-[[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxopropyl]amino]-3-phenethylthiourea IUPAC Name: 1-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-3-phenethylthiourea Traditional Name: 1-[3-(3-keto-2-methyl-1,4-benzoxazin-4-yl)propanoylamino]-3-phenethyl-thiourea Formula: C21H24N4O3S MolecularWeight: 412.50526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NNC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NNC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O3S/c1-15-20(27)25(17-9-5-6-10-18(17)28-15)14-12-19(26)23-24-21(29)22-13-11-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,23,26)(H2,22,24,29)