1-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloranyl-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]thiourea

Systemtic Name: 1-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloranyl-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]thiourea Openeye Name: [(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-6-oxo-cyclohexa-1,4-dien-1-yl]thiourea CAS Name: [(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-6-oxo-1-cyclohexa-1,4-dienyl]thiourea IUPAC Name: [(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-6-oxocyclohexa-1,4-dien-1-yl]thiourea Traditional Name: [(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-6-keto-cyclohexa-1,4-dien-1-yl]thiourea Formula: C14H10ClN3OS2 MolecularWeight: 335.8317

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=C(C(=O)C(=C3)Cl)NC(=S)N)S2

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C\3/C=C(C(=O)C(=C3)Cl)NC(=S)N)/S2

InChI

InChI=1S/C14H10ClN3OS2/c15-8-5-7(6-10(12(8)19)18-14(16)20)13-17-9-3-1-2-4-11(9)21-13/h1-6,17H,(H3,16,18,20)/b13-7-