[5-(carbamothioylamino)-2-[(phenylmethyl)amino]phenyl]methyl-carboxy-carbamic acid

Systemtic Name: [5-(carbamothioylamino)-2-[(phenylmethyl)amino]phenyl]methyl-carboxy-carbamic acid Openeye Name: [2-(benzylamino)-5-(carbamothioylamino)phenyl]methyl-carboxy-carbamic acid CAS Name: [5-(carbamothioylamino)-2-[(phenylmethyl)amino]phenyl]methyl-carboxycarbamic acid IUPAC Name: [2-(benzylamino)-5-(carbamothioylamino)phenyl]methyl-carboxycarbamic acid Traditional Name: [2-(benzylamino)-5-thioureido-benzyl]-carboxy-carbamic acid Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)NC(=S)N)CN(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)NC(=S)N)CN(C(=O)O)C(=O)O

InChI

InChI=1S/C17H18N4O4S/c18-15(26)20-13-6-7-14(19-9-11-4-2-1-3-5-11)12(8-13)10-21(16(22)23)17(24)25/h1-8,19H,9-10H2,(H,22,23)(H,24,25)(H3,18,20,26)