1-[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]-3-(3-methylsulfanylpropyl)thiourea

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]-3-(3-methylsulfanylpropyl)thiourea Openeye Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-(3-methylsulfanylpropyl)thiourea CAS Name: 1-[[2-(1,3-benzothiazol-2-ylamino)-1-oxoethyl]amino]-3-[3-(methylthio)propyl]thiourea IUPAC Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-(3-methylsulfanylpropyl)thiourea Traditional Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-[3-(methylthio)propyl]thiourea Formula: C14H19N5OS3 MolecularWeight: 369.52856

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)NNC(=O)CNC1=NC2=CC=CC=C2S1

Isomeric SMILES

CSCCCNC(=S)NNC(=O)CNC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C14H19N5OS3/c1-22-8-4-7-15-13(21)19-18-12(20)9-16-14-17-10-5-2-3-6-11(10)23-14/h2-3,5-6H,4,7-9H2,1H3,(H,16,17)(H,18,20)(H2,15,19,21)