methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]carbamodithioate

Systemtic Name: methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]carbamodithioate Openeye Name: methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]carbamodithioate CAS Name: N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]carbamodithioic acid methyl ester IUPAC Name: methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]carbamodithioate Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]carbamodithioic acid methyl ester Formula: C17H16N2OS3 MolecularWeight: 360.51674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)NC(=S)SC

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)NC(=S)SC

InChI

InChI=1S/C17H16N2OS3/c1-11-9-12(7-8-13(11)19-17(21)22-2)20-10-16-18-14-5-3-4-6-15(14)23-16/h3-9H,10H2,1-2H3,(H,19,21)