N-[3-azanylidene-1-(2-azanyl-4-thiophen-2-yl-phenyl)propyl]-3,4,5-tris(oxidanyl)benzamide

Systemtic Name: N-[3-azanylidene-1-(2-azanyl-4-thiophen-2-yl-phenyl)propyl]-3,4,5-tris(oxidanyl)benzamide Openeye Name: N-[1-[2-amino-4-(2-thienyl)phenyl]-3-imino-propyl]-3,4,5-trihydroxy-benzamide CAS Name: N-[1-(2-amino-4-thiophen-2-ylphenyl)-3-iminopropyl]-3,4,5-trihydroxybenzamide IUPAC Name: N-[1-(2-amino-4-thiophen-2-ylphenyl)-3-iminopropyl]-3,4,5-trihydroxybenzamide Traditional Name: N-[1-[2-amino-4-(2-thienyl)phenyl]-3-imino-propyl]-3,4,5-trihydroxy-benzamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=C(C=C2)C(CC=N)NC(=O)C3=CC(=C(C(=C3)O)O)O)N

Isomeric SMILES

C1=CSC(=C1)C2=CC(=C(C=C2)C(CC=N)NC(=O)C3=CC(=C(C(=C3)O)O)O)N

InChI

InChI=1S/C20H19N3O4S/c21-6-5-15(23-20(27)12-9-16(24)19(26)17(25)10-12)13-4-3-11(8-14(13)22)18-2-1-7-28-18/h1-4,6-10,15,21,24-26H,5,22H2,(H,23,27)