1-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-3-[(2R)-2-ethylhexyl]-1-methyl-thiourea

Systemtic Name: 1-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-3-[(2R)-2-ethylhexyl]-1-methyl-thiourea Openeye Name: 1-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-3-[(2R)-2-ethylhexyl]-1-methyl-thiourea CAS Name: 1-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-3-[(2R)-2-ethylhexyl]-1-methylthiourea IUPAC Name: 1-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-3-[(2R)-2-ethylhexyl]-1-methylthiourea Traditional Name: 1-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-3-[(2R)-2-ethylhexyl]-1-methyl-thiourea Formula: C19H29N3S2 MolecularWeight: 363.58366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)N(C)C(C)C1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCC[C@@H](CC)CNC(=S)N(C)[C@@H](C)C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C19H29N3S2/c1-5-7-10-15(6-2)13-20-19(23)22(4)14(3)18-21-16-11-8-9-12-17(16)24-18/h8-9,11-12,14-15H,5-7,10,13H2,1-4H3,(H,20,23)/t14-,15+/m0/s1