1-[4-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]thiourea

Systemtic Name: 1-[4-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]thiourea Openeye Name: [4-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]thiourea CAS Name: [4-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]thiourea IUPAC Name: [4-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]thiourea Traditional Name: [4-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiourea Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=C3C=CC(=CC3=O)NC(=S)N)N2

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=C3C=CC(=CC3=O)NC(=S)N)N2

InChI

InChI=1S/C16H15N3O2S/c1-2-9-3-6-14-12(7-9)19-15(21-14)11-5-4-10(8-13(11)20)18-16(17)22/h3-8,19H,2H2,1H3,(H3,17,18,22)