1-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-3-methyl-thiourea

Systemtic Name: 1-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-3-methyl-thiourea Openeye Name: 1-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-3-methyl-thiourea CAS Name: 1-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]-3-methylthiourea IUPAC Name: 1-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]-3-methylthiourea Traditional Name: 1-[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]-3-methyl-thiourea Formula: C15H21N3OS3 MolecularWeight: 355.54174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=S)NC)OC

Isomeric SMILES

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=S)NC)OC

InChI

InChI=1S/C15H21N3OS3/c1-15(2,19-4)7-8-21-14-18-11-6-5-10(9-12(11)22-14)17-13(20)16-3/h5-6,9H,7-8H2,1-4H3,(H2,16,17,20)