1-[4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]-3-(4-propan-2-ylphenyl)thiourea

Systemtic Name: 1-[4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-(4-isopropylphenyl)-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]thiourea CAS Name: 1-[[1-oxo-4-(2-oxo-1,3-benzoxazol-3-yl)butyl]amino]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[4-(2-keto-1,3-benzoxazol-3-yl)butanoylamino]-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)CCCN2C3=CC=CC=C3OC2=O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)CCCN2C3=CC=CC=C3OC2=O

InChI

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