1-(4-butylphenyl)-3-[(2-pyrrol-1-ylphenyl)carbonylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[(2-pyrrol-1-ylphenyl)carbonylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(2-pyrrol-1-ylbenzoyl)amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[oxo-[2-(1-pyrrolyl)phenyl]methyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(2-pyrrol-1-ylbenzoyl)amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[(2-pyrrol-1-ylbenzoyl)amino]thiourea Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CC=C2N3C=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CC=C2N3C=CC=C3

InChI

InChI=1S/C22H24N4OS/c1-2-3-8-17-11-13-18(14-12-17)23-22(28)25-24-21(27)19-9-4-5-10-20(19)26-15-6-7-16-26/h4-7,9-16H,2-3,8H2,1H3,(H,24,27)(H2,23,25,28)