1-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-(2-morpholin-4-ylethyl)thiourea

Systemtic Name: 1-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-(2-morpholin-4-ylethyl)thiourea Openeye Name: 1-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-(2-morpholinoethyl)thiourea CAS Name: 1-[1-[(3-chlorophenyl)methyl]-4-pyrazolyl]-3-[2-(4-morpholinyl)ethyl]thiourea IUPAC Name: 1-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-(2-morpholin-4-ylethyl)thiourea Traditional Name: 1-[1-(3-chlorobenzyl)pyrazol-4-yl]-3-(2-morpholinoethyl)thiourea Formula: C17H22ClN5OS MolecularWeight: 379.90748

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=S)NC2=CN(N=C2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

C1COCCN1CCNC(=S)NC2=CN(N=C2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H22ClN5OS/c18-15-3-1-2-14(10-15)12-23-13-16(11-20-23)21-17(25)19-4-5-22-6-8-24-9-7-22/h1-3,10-11,13H,4-9,12H2,(H2,19,21,25)