1-(4-butylphenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Formula: C25H25N3S2 MolecularWeight: 431.6161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C

InChI

InChI=1S/C25H25N3S2/c1-3-4-5-18-7-11-20(12-8-18)26-25(29)27-21-13-9-19(10-14-21)24-28-22-15-6-17(2)16-23(22)30-24/h6-16H,3-5H2,1-2H3,(H2,26,27,29)