[4-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]phenyl] thiocyanate

Systemtic Name: [4-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]phenyl] thiocyanate Openeye Name: [4-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[3-(1,3-benzothiazol-2-ylthio)-1-oxopropyl]amino]phenyl] ester IUPAC Name: [4-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[3-(1,3-benzothiazol-2-ylthio)propanoylamino]phenyl] ester Formula: C17H13N3OS3 MolecularWeight: 371.49962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCC(=O)NC3=CC=C(C=C3)SC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCC(=O)NC3=CC=C(C=C3)SC#N

InChI

InChI=1S/C17H13N3OS3/c18-11-23-13-7-5-12(6-8-13)19-16(21)9-10-22-17-20-14-3-1-2-4-15(14)24-17/h1-8H,9-10H2,(H,19,21)