3-azanyl-2-carbamothioyl-2-[(phenylmethyl)amino]-3-sulfanylidene-propanoic acid

Systemtic Name: 3-azanyl-2-carbamothioyl-2-[(phenylmethyl)amino]-3-sulfanylidene-propanoic acid Openeye Name: 3-amino-2-(benzylamino)-2-carbamothioyl-3-thioxo-propanoic acid CAS Name: 3-amino-2-carbamothioyl-2-[(phenylmethyl)amino]-3-sulfanylidenepropanoic acid IUPAC Name: 3-amino-2-(benzylamino)-2-carbamothioyl-3-sulfanylidenepropanoic acid Traditional Name: 3-amino-2-(benzylamino)-2-thiocarbamoyl-3-thioxo-propionic acid Formula: C11H13N3O2S2 MolecularWeight: 283.36982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(C(=S)N)(C(=S)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(C(=S)N)(C(=S)N)C(=O)O

InChI

InChI=1S/C11H13N3O2S2/c12-8(17)11(9(13)18,10(15)16)14-6-7-4-2-1-3-5-7/h1-5,14H,6H2,(H2,12,17)(H2,13,18)(H,15,16)