1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(1S)-2-(diethylamino)-1-phenyl-ethyl]thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(1S)-2-(diethylamino)-1-phenyl-ethyl]thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(1S)-2-(diethylamino)-1-phenyl-ethyl]thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[(1S)-2-(diethylamino)-1-phenylethyl]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[(1S)-2-(diethylamino)-1-phenylethyl]thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(1S)-2-(diethylamino)-1-phenyl-ethyl]thiourea Formula: C21H28ClN3S MolecularWeight: 389.98512

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(C1=CC=CC=C1)NC(=S)NC2=C(C=C(C=C2Cl)C)C

Isomeric SMILES

CCN(CC)C[C@H](C1=CC=CC=C1)NC(=S)NC2=C(C=C(C=C2Cl)C)C

InChI

InChI=1S/C21H28ClN3S/c1-5-25(6-2)14-19(17-10-8-7-9-11-17)23-21(26)24-20-16(4)12-15(3)13-18(20)22/h7-13,19H,5-6,14H2,1-4H3,(H2,23,24,26)/t19-/m1/s1