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

Systemtic Name: 4-chloranyl-N-[(Z)-3-oxidanylidene-3-[[2-(phenylcarbamothioylamino)phenyl]methylamino]-1-pyridin-3-yl-prop-1-en-2-yl]benzamide Openeye Name: 4-chloro-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]-4-chlorobenzamide IUPAC Name: 4-chloro-N-[(Z)-3-oxo-3-[[2-(phenylcarbamothioylamino)phenyl]methylamino]-1-pyridin-3-ylprop-1-en-2-yl]benzamide Traditional Name: 4-chloro-N-[(Z)-1-[[2-(phenylthiocarbamoylamino)benzyl]carbamoyl]-2-(3-pyridyl)vinyl]benzamide Formula: C29H24ClN5O2S MolecularWeight: 542.05116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2CNC(=O)C(=CC3=CN=CC=C3)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2CNC(=O)/C(=C/C3=CN=CC=C3)/NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H24ClN5O2S/c30-23-14-12-21(13-15-23)27(36)34-26(17-20-7-6-16-31-18-20)28(37)32-19-22-8-4-5-11-25(22)35-29(38)33-24-9-2-1-3-10-24/h1-18H,19H2,(H,32,37)(H,34,36)(H2,33,35,38)/b26-17-