1,3-bis(1,3-benzothiazol-2-ylsulfanylmethyl)urea

Systemtic Name: 1,3-bis(1,3-benzothiazol-2-ylsulfanylmethyl)urea Openeye Name: 1,3-bis(1,3-benzothiazol-2-ylsulfanylmethyl)urea CAS Name: 1,3-bis[(1,3-benzothiazol-2-ylthio)methyl]urea IUPAC Name: 1,3-bis(1,3-benzothiazol-2-ylsulfanylmethyl)urea Traditional Name: 1,3-bis[(1,3-benzothiazol-2-ylthio)methyl]urea Formula: C17H14N4OS4 MolecularWeight: 418.57926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCNC(=O)NCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCNC(=O)NCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H14N4OS4/c22-15(18-9-23-16-20-11-5-1-3-7-13(11)25-16)19-10-24-17-21-12-6-2-4-8-14(12)26-17/h1-8H,9-10H2,(H2,18,19,22)