ethyl 3-[3-[(4-carbamimidoylphenyl)carbamothioylamino]propanoylamino]propanoate

Systemtic Name: ethyl 3-[3-[(4-carbamimidoylphenyl)carbamothioylamino]propanoylamino]propanoate Openeye Name: ethyl 3-[3-[(4-carbamimidoylphenyl)carbamothioylamino]propanoylamino]propanoate CAS Name: 3-[[3-[[(4-carbamimidoylanilino)-sulfanylidenemethyl]amino]-1-oxopropyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[(4-carbamimidoylphenyl)carbamothioylamino]propanoylamino]propanoate Traditional Name: 3-[3-[(4-amidinophenyl)thiocarbamoylamino]propanoylamino]propionic acid ethyl ester Formula: C16H23N5O3S MolecularWeight: 365.45052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)CCNC(=S)NC1=CC=C(C=C1)C(=N)N

Isomeric SMILES

CCOC(=O)CCNC(=O)CCNC(=S)NC1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C16H23N5O3S/c1-2-24-14(23)8-10-19-13(22)7-9-20-16(25)21-12-5-3-11(4-6-12)15(17)18/h3-6H,2,7-10H2,1H3,(H3,17,18)(H,19,22)(H2,20,21,25)