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

Systemtic Name: 1-[3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-(4-isopropylphenyl)-3-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]thiourea CAS Name: 1-[[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxopropyl]amino]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[3-(3-keto-2-methyl-1,4-benzoxazin-4-yl)propanoylamino]-3-p-cumenyl-thiourea Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NNC(=S)NC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NNC(=S)NC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C22H26N4O3S/c1-14(2)16-8-10-17(11-9-16)23-22(30)25-24-20(27)12-13-26-18-6-4-5-7-19(18)29-15(3)21(26)28/h4-11,14-15H,12-13H2,1-3H3,(H,24,27)(H2,23,25,30)