1-(4-butan-2-ylphenyl)-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiourea

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiourea Openeye Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiourea Traditional Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-sec-butylphenyl)thiourea Formula: C20H23N3S2 MolecularWeight: 369.54672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=NC3=C(S2)C=C(C(=C3)C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=NC3=C(S2)C=C(C(=C3)C)C

InChI

InChI=1S/C20H23N3S2/c1-5-12(2)15-6-8-16(9-7-15)21-19(24)23-20-22-17-10-13(3)14(4)11-18(17)25-20/h6-12H,5H2,1-4H3,(H2,21,22,23,24)