1-[3-(diethylamino)propyl]-3-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]thiourea

Systemtic Name: 1-[3-(diethylamino)propyl]-3-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]thiourea Openeye Name: 1-[3-(diethylamino)propyl]-3-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]thiourea CAS Name: 1-[3-(diethylamino)propyl]-3-[1-[(4-ethylphenoxy)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-[3-(diethylamino)propyl]-3-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-[3-(diethylamino)propyl]-3-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]thiourea Formula: C20H31N5OS MolecularWeight: 389.55804

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCN2C=C(C=N2)NC(=S)NCCCN(CC)CC

Isomeric SMILES

CCC1=CC=C(C=C1)OCN2C=C(C=N2)NC(=S)NCCCN(CC)CC

InChI

InChI=1S/C20H31N5OS/c1-4-17-8-10-19(11-9-17)26-16-25-15-18(14-22-25)23-20(27)21-12-7-13-24(5-2)6-3/h8-11,14-15H,4-7,12-13,16H2,1-3H3,(H2,21,23,27)