2-acetamido-4-[2-[4-[bis(azanyl)methylideneamino]phenyl]ethyl]-N-pyridin-3-yl-1,3-thiazole-5-carboxamide

Systemtic Name: 2-acetamido-4-[2-[4-[bis(azanyl)methylideneamino]phenyl]ethyl]-N-pyridin-3-yl-1,3-thiazole-5-carboxamide Openeye Name: 2-acetamido-4-[2-(4-guanidinophenyl)ethyl]-N-(3-pyridyl)thiazole-5-carboxamide CAS Name: 2-acetamido-4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-N-(3-pyridinyl)-5-thiazolecarboxamide IUPAC Name: 2-acetamido-4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-N-pyridin-3-yl-1,3-thiazole-5-carboxamide Traditional Name: 2-acetamido-4-[2-(4-guanidinophenyl)ethyl]-N-(3-pyridyl)thiazole-5-carboxamide Formula: C20H21N7O2S MolecularWeight: 423.49144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=C(S1)C(=O)NC2=CN=CC=C2)CCC3=CC=C(C=C3)N=C(N)N

Isomeric SMILES

CC(=O)NC1=NC(=C(S1)C(=O)NC2=CN=CC=C2)CCC3=CC=C(C=C3)N=C(N)N

InChI

InChI=1S/C20H21N7O2S/c1-12(28)24-20-27-16(9-6-13-4-7-14(8-5-13)26-19(21)22)17(30-20)18(29)25-15-3-2-10-23-11-15/h2-5,7-8,10-11H,6,9H2,1H3,(H,25,29)(H4,21,22,26)(H,24,27,28)