1-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-3-(2,5-dimethylphenyl)thiourea

Systemtic Name: 1-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-3-(2,5-dimethylphenyl)thiourea Openeye Name: 1-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-3-(2,5-dimethylphenyl)thiourea CAS Name: 1-[(2S)-2-(2-chlorophenyl)-2-(1-pyrrolidinyl)ethyl]-3-(2,5-dimethylphenyl)thiourea IUPAC Name: 1-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2,5-dimethylphenyl)thiourea Traditional Name: 1-[(2S)-2-(2-chlorophenyl)-2-pyrrolidino-ethyl]-3-(2,5-dimethylphenyl)thiourea Formula: C21H26ClN3S MolecularWeight: 387.96924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NCC(C2=CC=CC=C2Cl)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NC[C@H](C2=CC=CC=C2Cl)N3CCCC3

InChI

InChI=1S/C21H26ClN3S/c1-15-9-10-16(2)19(13-15)24-21(26)23-14-20(25-11-5-6-12-25)17-7-3-4-8-18(17)22/h3-4,7-10,13,20H,5-6,11-12,14H2,1-2H3,(H2,23,24,26)/t20-/m1/s1