ethyl 2-[[3,4-diaminocarbonyl-5-(phenylcarbamothioylamino)-1H-pyrrol-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[3,4-diaminocarbonyl-5-(phenylcarbamothioylamino)-1H-pyrrol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[3,4-dicarbamoyl-5-(phenylcarbamothioylamino)-1H-pyrrol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[anilino(sulfanylidene)methyl]amino]-3,4-dicarbamoyl-1H-pyrrol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3,4-dicarbamoyl-5-(phenylcarbamothioylamino)-1H-pyrrol-2-yl]sulfanyl]acetate Traditional Name: 2-[[3,4-dicarbamoyl-5-(phenylthiocarbamoylamino)-1H-pyrrol-2-yl]thio]acetic acid ethyl ester Formula: C17H19N5O4S2 MolecularWeight: 421.49386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(=C(N1)NC(=S)NC2=CC=CC=C2)C(=O)N)C(=O)N

Isomeric SMILES

CCOC(=O)CSC1=C(C(=C(N1)NC(=S)NC2=CC=CC=C2)C(=O)N)C(=O)N

InChI

InChI=1S/C17H19N5O4S2/c1-2-26-10(23)8-28-16-12(14(19)25)11(13(18)24)15(21-16)22-17(27)20-9-6-4-3-5-7-9/h3-7,21H,2,8H2,1H3,(H2,18,24)(H2,19,25)(H2,20,22,27)