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

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]-3-(2-phenylsulfanylethyl)thiourea Openeye Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-(2-phenylsulfanylethyl)thiourea CAS Name: 1-[[2-(1,3-benzothiazol-2-ylamino)-1-oxoethyl]amino]-3-[2-(phenylthio)ethyl]thiourea IUPAC Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-(2-phenylsulfanylethyl)thiourea Traditional Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-[2-(phenylthio)ethyl]thiourea Formula: C18H19N5OS3 MolecularWeight: 417.57136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=S)NNC(=O)CNC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=S)NNC(=O)CNC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H19N5OS3/c24-16(12-20-18-21-14-8-4-5-9-15(14)27-18)22-23-17(25)19-10-11-26-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,21)(H,22,24)(H2,19,23,25)