1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-3-(4-bromophenyl)thiourea

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-3-(4-bromophenyl)thiourea Openeye Name: 1-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-(4-bromophenyl)thiourea CAS Name: 1-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-3-(4-bromophenyl)thiourea IUPAC Name: 1-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-(4-bromophenyl)thiourea Traditional Name: 1-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-3-(4-bromophenyl)thiourea Formula: C16H13BrN4OS3 MolecularWeight: 453.39962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NNC(=S)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NNC(=S)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H13BrN4OS3/c17-10-5-7-11(8-6-10)18-15(23)21-20-14(22)9-24-16-19-12-3-1-2-4-13(12)25-16/h1-8H,9H2,(H,20,22)(H2,18,21,23)