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

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-benzyl-thiourea CAS Name: 1-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-benzylthiourea Traditional Name: 1-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-3-benzyl-thiourea Formula: C17H16N4OS3 MolecularWeight: 388.53014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4OS3/c22-15(11-24-17-19-13-8-4-5-9-14(13)25-17)20-21-16(23)18-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,22)(H2,18,21,23)