1-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-methylsulfanylpropyl)thiourea

Systemtic Name: 1-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-methylsulfanylpropyl)thiourea Openeye Name: 1-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-methylsulfanylpropyl)thiourea CAS Name: 1-(2-methyl-1,3-benzothiazol-6-yl)-3-[3-(methylthio)propyl]thiourea IUPAC Name: 1-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-methylsulfanylpropyl)thiourea Traditional Name: 1-(2-methyl-1,3-benzothiazol-6-yl)-3-[3-(methylthio)propyl]thiourea Formula: C13H17N3S3 MolecularWeight: 311.48918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=S)NCCCSC

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=S)NCCCSC

InChI

InChI=1S/C13H17N3S3/c1-9-15-11-5-4-10(8-12(11)19-9)16-13(17)14-6-3-7-18-2/h4-5,8H,3,6-7H2,1-2H3,(H2,14,16,17)