1-[4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]thiourea

Systemtic Name: 1-[4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]thiourea Openeye Name: [4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]thiourea CAS Name: [4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]thiourea IUPAC Name: [4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]thiourea Traditional Name: [4-(5,7-dimethyl-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:

CC1=CC(=C2C(=C1)NC(=C3C=CC(=CC3=O)NC(=S)N)O2)C

Isomeric SMILES

CC1=CC(=C2C(=C1)NC(=C3C=CC(=CC3=O)NC(=S)N)O2)C

InChI

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