3-butyl-1-[(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-1-methyl-thiourea

Systemtic Name: 3-butyl-1-[(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-1-methyl-thiourea Openeye Name: 3-butyl-1-[(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-1-methyl-thiourea CAS Name: 3-butyl-1-[(E)-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-1-methylthiourea IUPAC Name: 3-butyl-1-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1-methylthiourea Traditional Name: 3-butyl-1-[(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-1-methyl-thiourea Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(C)N=CC1=CN(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=S)N(C)/N=C/C1=CN(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C23H27N5OS/c1-4-5-15-24-23(30)27(2)25-16-19-17-28(20-9-7-6-8-10-20)26-22(19)18-11-13-21(29-3)14-12-18/h6-14,16-17H,4-5,15H2,1-3H3,(H,24,30)/b25-16+