1-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[(5-ethylthiophen-3-yl)carbonylamino]thiourea

Systemtic Name: 1-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[(5-ethylthiophen-3-yl)carbonylamino]thiourea Openeye Name: 1-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[(5-ethylthiophene-3-carbonyl)amino]thiourea CAS Name: 1-[1-[(4-chlorophenyl)methyl]-3-pyrazolyl]-3-[[(5-ethyl-3-thiophenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[(5-ethylthiophene-3-carbonyl)amino]thiourea Traditional Name: 1-[1-(4-chlorobenzyl)pyrazol-3-yl]-3-[(5-ethylthiophene-3-carbonyl)amino]thiourea Formula: C18H18ClN5OS2 MolecularWeight: 419.95142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CS1)C(=O)NNC(=S)NC2=NN(C=C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=CC(=CS1)C(=O)NNC(=S)NC2=NN(C=C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN5OS2/c1-2-15-9-13(11-27-15)17(25)21-22-18(26)20-16-7-8-24(23-16)10-12-3-5-14(19)6-4-12/h3-9,11H,2,10H2,1H3,(H,21,25)(H2,20,22,23,26)