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

Systemtic Name: 1-(4-butylphenyl)-3-[(1S)-2-(dimethylamino)-1-phenyl-ethyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(1S)-2-(dimethylamino)-1-phenyl-ethyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[(1S)-2-(dimethylamino)-1-phenylethyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(1S)-2-(dimethylamino)-1-phenylethyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[(1S)-2-(dimethylamino)-1-phenyl-ethyl]thiourea Formula: C21H29N3S MolecularWeight: 355.54006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC(CN(C)C)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3S/c1-4-5-9-17-12-14-19(15-13-17)22-21(25)23-20(16-24(2)3)18-10-7-6-8-11-18/h6-8,10-15,20H,4-5,9,16H2,1-3H3,(H2,22,23,25)/t20-/m1/s1