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

Systemtic Name: [5-(carbamothioylamino)-2-[methyl-(phenylmethyl)amino]phenyl]methyl-carboxy-carbamic acid Openeye Name: [2-[benzyl(methyl)amino]-5-(carbamothioylamino)phenyl]methyl-carboxy-carbamic acid CAS Name: [5-(carbamothioylamino)-2-[methyl-(phenylmethyl)amino]phenyl]methyl-carboxycarbamic acid IUPAC Name: [2-[benzyl(methyl)amino]-5-(carbamothioylamino)phenyl]methyl-carboxycarbamic acid Traditional Name: [2-[benzyl(methyl)amino]-5-thioureido-benzyl]-carboxy-carbamic acid Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C=C(C=C2)NC(=S)N)CN(C(=O)O)C(=O)O

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C=C(C=C2)NC(=S)N)CN(C(=O)O)C(=O)O

InChI

InChI=1S/C18H20N4O4S/c1-21(10-12-5-3-2-4-6-12)15-8-7-14(20-16(19)27)9-13(15)11-22(17(23)24)18(25)26/h2-9H,10-11H2,1H3,(H,23,24)(H,25,26)(H3,19,20,27)