1-butyl-3-[(E)-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]thiourea

Systemtic Name: 1-butyl-3-[(E)-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]thiourea Openeye Name: 1-butyl-3-[(E)-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]thiourea CAS Name: 1-butyl-3-[(E)-[1-(4-ethoxyphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]thiourea IUPAC Name: 1-butyl-3-[(E)-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]thiourea Traditional Name: 1-butyl-3-[(E)-(2,5-dimethyl-1-p-phenetyl-pyrrol-3-yl)methyleneamino]thiourea Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=CC1=C(N(C(=C1)C)C2=CC=C(C=C2)OCC)C

Isomeric SMILES

CCCCNC(=S)N/N=C/C1=C(N(C(=C1)C)C2=CC=C(C=C2)OCC)C

InChI

InChI=1S/C20H28N4OS/c1-5-7-12-21-20(26)23-22-14-17-13-15(3)24(16(17)4)18-8-10-19(11-9-18)25-6-2/h8-11,13-14H,5-7,12H2,1-4H3,(H2,21,23,26)/b22-14+