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

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-3-phenyl-thiourea Openeye Name: 1-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-phenyl-thiourea CAS Name: 1-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-3-phenylthiourea IUPAC Name: 1-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-phenylthiourea Traditional Name: 1-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-3-phenyl-thiourea Formula: C16H14N4OS3 MolecularWeight: 374.50356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NNC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NNC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H14N4OS3/c21-14(19-20-15(22)17-11-6-2-1-3-7-11)10-23-16-18-12-8-4-5-9-13(12)24-16/h1-9H,10H2,(H,19,21)(H2,17,20,22)