4-azanyl-N-phenyl-5-(phenylcarbonyl)-2-(propylamino)-1H-pyrrole-3-carbothioamide

Systemtic Name: 4-azanyl-N-phenyl-5-(phenylcarbonyl)-2-(propylamino)-1H-pyrrole-3-carbothioamide Openeye Name: 4-amino-5-benzoyl-N-phenyl-2-(propylamino)-1H-pyrrole-3-carbothioamide CAS Name: 4-amino-5-benzoyl-N-phenyl-2-(propylamino)-1H-pyrrole-3-carbothioamide IUPAC Name: 4-amino-5-benzoyl-N-phenyl-2-(propylamino)-1H-pyrrole-3-carbothioamide Traditional Name: 4-amino-5-benzoyl-N-phenyl-2-(propylamino)-1H-pyrrole-3-carbothioamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C(=C(N1)C(=O)C2=CC=CC=C2)N)C(=S)NC3=CC=CC=C3

Isomeric SMILES

CCCNC1=C(C(=C(N1)C(=O)C2=CC=CC=C2)N)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C21H22N4OS/c1-2-13-23-20-16(21(27)24-15-11-7-4-8-12-15)17(22)18(25-20)19(26)14-9-5-3-6-10-14/h3-12,23,25H,2,13,22H2,1H3,(H,24,27)