[6-chloranyl-2-[(4-chlorophenyl)carbamoylamino]-1,3-benzothiazol-4-yl] thiocyanate

Systemtic Name: [6-chloranyl-2-[(4-chlorophenyl)carbamoylamino]-1,3-benzothiazol-4-yl] thiocyanate Openeye Name: [6-chloro-2-[(4-chlorophenyl)carbamoylamino]-1,3-benzothiazol-4-yl] thiocyanate CAS Name: thiocyanic acid [6-chloro-2-[[(4-chloroanilino)-oxomethyl]amino]-1,3-benzothiazol-4-yl] ester IUPAC Name: [6-chloro-2-[(4-chlorophenyl)carbamoylamino]-1,3-benzothiazol-4-yl] thiocyanate Traditional Name: thiocyanic acid [6-chloro-2-[(4-chlorophenyl)carbamoylamino]-1,3-benzothiazol-4-yl] ester Formula: C15H8Cl2N4OS2 MolecularWeight: 395.28622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NC2=NC3=C(C=C(C=C3S2)Cl)SC#N)Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NC2=NC3=C(C=C(C=C3S2)Cl)SC#N)Cl

InChI

InChI=1S/C15H8Cl2N4OS2/c16-8-1-3-10(4-2-8)19-14(22)21-15-20-13-11(23-7-18)5-9(17)6-12(13)24-15/h1-6H,(H2,19,20,21,22)