(2R)-2-[(5-azanylidene-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanyl]-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: (2R)-2-[(5-azanylidene-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanyl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: (2R)-N-(benzylcarbamoyl)-2-[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanyl]propanamide CAS Name: (2R)-2-[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)thio]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: (2R)-N-(benzylcarbamoyl)-2-[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(benzylcarbamoyl)-2-[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)thio]propionamide Formula: C13H14N5O2S2- MolecularWeight: 336.41256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)SC2=N[N-]C(=N)S2

Isomeric SMILES

C[C@H](C(=O)NC(=O)NCC1=CC=CC=C1)SC2=N[N-]C(=N)S2

InChI

InChI=1S/C13H15N5O2S2/c1-8(21-13-18-17-11(14)22-13)10(19)16-12(20)15-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H4,14,15,16,17,19,20)/p-1/t8-/m1/s1