N-[(Z)-3-oxidanylidene-3-[[2-(phenylcarbamothioylamino)phenyl]methylamino]-1-pyridin-3-yl-prop-1-en-2-yl]benzamide

Systemtic Name: N-[(Z)-3-oxidanylidene-3-[[2-(phenylcarbamothioylamino)phenyl]methylamino]-1-pyridin-3-yl-prop-1-en-2-yl]benzamide Openeye Name: N-[(Z)-1-[[2-(phenylcarbamothioylamino)phenyl]methylcarbamoyl]-2-(3-pyridyl)vinyl]benzamide CAS Name: N-[(Z)-3-[[2-[[anilino(sulfanylidene)methyl]amino]phenyl]methylamino]-3-oxo-1-(3-pyridinyl)prop-1-en-2-yl]benzamide IUPAC Name: N-[(Z)-3-oxo-3-[[2-(phenylcarbamothioylamino)phenyl]methylamino]-1-pyridin-3-ylprop-1-en-2-yl]benzamide Traditional Name: N-[(Z)-1-[[2-(phenylthiocarbamoylamino)benzyl]carbamoyl]-2-(3-pyridyl)vinyl]benzamide Formula: C29H25N5O2S MolecularWeight: 507.6061

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=CC2=CN=CC=C2)C(=O)NCC3=CC=CC=C3NC(=S)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C\C2=CN=CC=C2)/C(=O)NCC3=CC=CC=C3NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C29H25N5O2S/c35-27(22-11-3-1-4-12-22)33-26(18-21-10-9-17-30-19-21)28(36)31-20-23-13-7-8-16-25(23)34-29(37)32-24-14-5-2-6-15-24/h1-19H,20H2,(H,31,36)(H,33,35)(H2,32,34,37)/b26-18-