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

Systemtic Name: 1-[3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-(4-isopropylphenyl)-3-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]thiourea CAS Name: 1-[[1-oxo-3-(3-oxo-1,4-benzoxazin-4-yl)propyl]amino]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[3-(3-keto-1,4-benzoxazin-4-yl)propanoylamino]-3-p-cumenyl-thiourea Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)CCN2C(=O)COC3=CC=CC=C32

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)CCN2C(=O)COC3=CC=CC=C32

InChI

InChI=1S/C21H24N4O3S/c1-14(2)15-7-9-16(10-8-15)22-21(29)24-23-19(26)11-12-25-17-5-3-4-6-18(17)28-13-20(25)27/h3-10,14H,11-13H2,1-2H3,(H,23,26)(H2,22,24,29)