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

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]thiourea Openeye Name: 1-(2,3-dimethylphenyl)-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]thiourea CAS Name: 1-(2,3-dimethylphenyl)-3-[[1-oxo-4-(2-oxo-1,3-benzoxazol-3-yl)butyl]amino]thiourea IUPAC Name: 1-(2,3-dimethylphenyl)-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]thiourea Traditional Name: 1-(2,3-dimethylphenyl)-3-[4-(2-keto-1,3-benzoxazol-3-yl)butanoylamino]thiourea Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NNC(=O)CCCN2C3=CC=CC=C3OC2=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)NNC(=O)CCCN2C3=CC=CC=C3OC2=O)C

InChI

InChI=1S/C20H22N4O3S/c1-13-7-5-8-15(14(13)2)21-19(28)23-22-18(25)11-6-12-24-16-9-3-4-10-17(16)27-20(24)26/h3-5,7-10H,6,11-12H2,1-2H3,(H,22,25)(H2,21,23,28)