ethyl 1-(1H-benzimidazol-2-yl)-2-(phenylcarbamothioylamino)indolizine-3-carboxylate

Systemtic Name: ethyl 1-(1H-benzimidazol-2-yl)-2-(phenylcarbamothioylamino)indolizine-3-carboxylate Openeye Name: ethyl 1-(1H-benzimidazol-2-yl)-2-(phenylcarbamothioylamino)indolizine-3-carboxylate CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-1-(1H-benzimidazol-2-yl)-3-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1H-benzimidazol-2-yl)-2-(phenylcarbamothioylamino)indolizine-3-carboxylate Traditional Name: 1-(1H-benzimidazol-2-yl)-2-(phenylthiocarbamoylamino)indolizine-3-carboxylic acid ethyl ester Formula: C25H21N5O2S MolecularWeight: 455.53154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2N1C=CC=C2)C3=NC4=CC=CC=C4N3)NC(=S)NC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(C(=C2N1C=CC=C2)C3=NC4=CC=CC=C4N3)NC(=S)NC5=CC=CC=C5

InChI

InChI=1S/C25H21N5O2S/c1-2-32-24(31)22-21(29-25(33)26-16-10-4-3-5-11-16)20(19-14-8-9-15-30(19)22)23-27-17-12-6-7-13-18(17)28-23/h3-15H,2H2,1H3,(H,27,28)(H2,26,29,33)