1-methyl-3-[2-(2-prop-2-enoxyethylsulfanyl)-1,3-benzothiazol-6-yl]thiourea

Systemtic Name: 1-methyl-3-[2-(2-prop-2-enoxyethylsulfanyl)-1,3-benzothiazol-6-yl]thiourea Openeye Name: 1-[2-(2-allyloxyethylsulfanyl)-1,3-benzothiazol-6-yl]-3-methyl-thiourea CAS Name: 1-methyl-3-[2-(2-prop-2-enoxyethylthio)-1,3-benzothiazol-6-yl]thiourea IUPAC Name: 1-methyl-3-[2-(2-prop-2-enoxyethylsulfanyl)-1,3-benzothiazol-6-yl]thiourea Traditional Name: 1-[2-(2-allyloxyethylthio)-1,3-benzothiazol-6-yl]-3-methyl-thiourea Formula: C14H17N3OS3 MolecularWeight: 339.49928

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC1=CC2=C(C=C1)N=C(S2)SCCOCC=C

Isomeric SMILES

CNC(=S)NC1=CC2=C(C=C1)N=C(S2)SCCOCC=C

InChI

InChI=1S/C14H17N3OS3/c1-3-6-18-7-8-20-14-17-11-5-4-10(9-12(11)21-14)16-13(19)15-2/h3-5,9H,1,6-8H2,2H3,(H2,15,16,19)