2-[[3-(aminomethyl)phenyl]carbonyl-phenyl-amino]ethanoic acid; 2-azanyl-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-[[3-(aminomethyl)phenyl]carbonyl-phenyl-amino]ethanoic acid; 2-azanyl-1,3-benzothiazole-6-carboxamide Openeye Name: 2-amino-1,3-benzothiazole-6-carboxamide; 2-(N-[3-(aminomethyl)benzoyl]anilino)acetic acid CAS Name: 2-amino-1,3-benzothiazole-6-carboxamide; 2-(N-[[3-(aminomethyl)phenyl]-oxomethyl]anilino)acetic acid IUPAC Name: 2-amino-1,3-benzothiazole-6-carboxamide; 2-(N-[3-(aminomethyl)benzoyl]anilino)acetic acid Traditional Name: 2-amino-1,3-benzothiazole-6-carboxamide; 2-(N-[3-(aminomethyl)benzoyl]anilino)acetic acid Formula: C24H23N5O4S MolecularWeight: 477.53552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC(=O)O)C(=O)C2=CC(=CC=C2)CN.C1=CC2=C(C=C1C(=O)N)SC(=N2)N

Isomeric SMILES

C1=CC=C(C=C1)N(CC(=O)O)C(=O)C2=CC(=CC=C2)CN.C1=CC2=C(C=C1C(=O)N)SC(=N2)N

InChI

InChI=1S/C16H16N2O3.C8H7N3OS/c17-10-12-5-4-6-13(9-12)16(21)18(11-15(19)20)14-7-2-1-3-8-14;9-7(12)4-1-2-5-6(3-4)13-8(10)11-5/h1-9H,10-11,17H2,(H,19,20);1-3H,(H2,9,12)(H2,10,11)