2-nitro-3,3-bis(phenethylamino)-N-phenyl-prop-2-enethioamide

Systemtic Name: 2-nitro-3,3-bis(phenethylamino)-N-phenyl-prop-2-enethioamide Openeye Name: 2-nitro-3,3-bis(phenethylamino)-N-phenyl-prop-2-enethioamide CAS Name: 2-nitro-3,3-bis(phenethylamino)-N-phenyl-2-propenethioamide IUPAC Name: 2-nitro-3,3-bis(phenethylamino)-N-phenylprop-2-enethioamide Traditional Name: 2-nitro-3,3-bis(phenethylamino)-N-phenyl-thioacrylamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=C(C(=S)NC2=CC=CC=C2)[N+](=O)[O-])NCCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=C(C(=S)NC2=CC=CC=C2)[N+](=O)[O-])NCCC3=CC=CC=C3

InChI

InChI=1S/C25H26N4O2S/c30-29(31)23(25(32)28-22-14-8-3-9-15-22)24(26-18-16-20-10-4-1-5-11-20)27-19-17-21-12-6-2-7-13-21/h1-15,26-27H,16-19H2,(H,28,32)