1-(4-butylphenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiourea Formula: C22H31N3OS MolecularWeight: 385.56604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCC(C2=CC=CC=C2OC)N(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCC(C2=CC=CC=C2OC)N(C)C

InChI

InChI=1S/C22H31N3OS/c1-5-6-9-17-12-14-18(15-13-17)24-22(27)23-16-20(25(2)3)19-10-7-8-11-21(19)26-4/h7-8,10-15,20H,5-6,9,16H2,1-4H3,(H2,23,24,27)