1-(4-butylphenyl)-3-[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[1-oxo-3-(2-oxo-1,3-benzoxazol-3-yl)propyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[3-(2-keto-1,3-benzoxazol-3-yl)propanoylamino]thiourea Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CCN2C3=CC=CC=C3OC2=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CCN2C3=CC=CC=C3OC2=O

InChI

InChI=1S/C21H24N4O3S/c1-2-3-6-15-9-11-16(12-10-15)22-20(29)24-23-19(26)13-14-25-17-7-4-5-8-18(17)28-21(25)27/h4-5,7-12H,2-3,6,13-14H2,1H3,(H,23,26)(H2,22,24,29)