1-[5-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]-3-(3-ethylphenyl)thiourea

Systemtic Name: 1-[5-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]-3-(3-ethylphenyl)thiourea Openeye Name: 1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(3-ethylphenyl)thiourea CAS Name: 1-[5-chloro-2-(4-ethyl-1-piperazinyl)phenyl]-3-(3-ethylphenyl)thiourea IUPAC Name: 1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(3-ethylphenyl)thiourea Traditional Name: 1-[5-chloro-2-(4-ethylpiperazino)phenyl]-3-(3-ethylphenyl)thiourea Formula: C21H27ClN4S MolecularWeight: 402.98388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)CC

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)CC

InChI

InChI=1S/C21H27ClN4S/c1-3-16-6-5-7-18(14-16)23-21(27)24-19-15-17(22)8-9-20(19)26-12-10-25(4-2)11-13-26/h5-9,14-15H,3-4,10-13H2,1-2H3,(H2,23,24,27)