1-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-3-(furan-2-ylmethyl)thiourea

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-3-(furan-2-ylmethyl)thiourea Openeye Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-3-(2-furylmethyl)thiourea CAS Name: 1-[[2-(1,3-benzothiazol-2-ylthio)-1-oxopropyl]amino]-3-(2-furanylmethyl)thiourea IUPAC Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-3-(furan-2-ylmethyl)thiourea Traditional Name: 1-[2-(1,3-benzothiazol-2-ylthio)propanoylamino]-3-(2-furfuryl)thiourea Formula: C16H16N4O2S3 MolecularWeight: 392.51884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NCC1=CC=CO1)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C(=O)NNC(=S)NCC1=CC=CO1)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H16N4O2S3/c1-10(24-16-18-12-6-2-3-7-13(12)25-16)14(21)19-20-15(23)17-9-11-5-4-8-22-11/h2-8,10H,9H2,1H3,(H,19,21)(H2,17,20,23)