(E)-3-azanyl-2-cyano-N-(phenylmethyl)-3-(4-phenylpiperazin-1-yl)prop-2-enethioamide

Systemtic Name: (E)-3-azanyl-2-cyano-N-(phenylmethyl)-3-(4-phenylpiperazin-1-yl)prop-2-enethioamide Openeye Name: (E)-3-amino-N-benzyl-2-cyano-3-(4-phenylpiperazin-1-yl)prop-2-enethioamide CAS Name: (E)-3-amino-2-cyano-N-(phenylmethyl)-3-(4-phenyl-1-piperazinyl)-2-propenethioamide IUPAC Name: (E)-3-amino-N-benzyl-2-cyano-3-(4-phenylpiperazin-1-yl)prop-2-enethioamide Traditional Name: (E)-3-amino-N-benzyl-2-cyano-3-(4-phenylpiperazino)thioacrylamide Formula: C21H23N5S MolecularWeight: 377.50582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=C(C#N)C(=S)NCC3=CC=CC=C3)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)/C(=C(\C#N)/C(=S)NCC3=CC=CC=C3)/N

InChI

InChI=1S/C21H23N5S/c22-15-19(21(27)24-16-17-7-3-1-4-8-17)20(23)26-13-11-25(12-14-26)18-9-5-2-6-10-18/h1-10H,11-14,16,23H2,(H,24,27)/b20-19+