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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3OS/c1-5-6-8-17-11-13-19(14-12-17)24-22(27)23-16-21(25(2)3)18-9-7-10-20(15-18)26-4/h7,9-15,21H,5-6,8,16H2,1-4H3,(H2,23,24,27)/t21-/m1/s1