1-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(4-butylphenyl)-1-methyl-thiourea

Systemtic Name: 1-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(4-butylphenyl)-1-methyl-thiourea Openeye Name: 1-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(4-butylphenyl)-1-methyl-thiourea CAS Name: 1-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(4-butylphenyl)-1-methylthiourea IUPAC Name: 1-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(4-butylphenyl)-1-methylthiourea Traditional Name: 1-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(4-butylphenyl)-1-methyl-thiourea Formula: C21H25N3S2 MolecularWeight: 383.5733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N(C)C(C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N(C)[C@H](C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H25N3S2/c1-4-5-8-16-11-13-17(14-12-16)22-21(25)24(3)15(2)20-23-18-9-6-7-10-19(18)26-20/h6-7,9-15H,4-5,8H2,1-3H3,(H,22,25)/t15-/m1/s1