1-(furan-2-ylmethyl)-3-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiourea

Systemtic Name: 1-(furan-2-ylmethyl)-3-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiourea Openeye Name: 1-(2-furylmethyl)-3-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiourea CAS Name: 1-(2-furanylmethyl)-3-[2-(methylthio)-1,3-benzothiazol-6-yl]thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiourea Traditional Name: 1-(2-furfuryl)-3-[2-(methylthio)-1,3-benzothiazol-6-yl]thiourea Formula: C14H13N3OS3 MolecularWeight: 335.46752

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=S)NCC3=CC=CO3

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=S)NCC3=CC=CO3

InChI

InChI=1S/C14H13N3OS3/c1-20-14-17-11-5-4-9(7-12(11)21-14)16-13(19)15-8-10-3-2-6-18-10/h2-7H,8H2,1H3,(H2,15,16,19)