N-naphthalen-1-yl-3-[(2-phenothiazin-10-ylethanoylamino)carbamothioylamino]propanamide

Systemtic Name: N-naphthalen-1-yl-3-[(2-phenothiazin-10-ylethanoylamino)carbamothioylamino]propanamide Openeye Name: N-(1-naphthyl)-3-[[(2-phenothiazin-10-ylacetyl)amino]carbamothioylamino]propanamide CAS Name: N-(1-naphthalenyl)-3-[[[[1-oxo-2-(10-phenothiazinyl)ethyl]hydrazo]-sulfanylidenemethyl]amino]propanamide IUPAC Name: N-naphthalen-1-yl-3-[[(2-phenothiazin-10-ylacetyl)amino]carbamothioylamino]propanamide Traditional Name: N-(1-naphthyl)-3-[[(2-phenothiazin-10-ylacetyl)amino]thiocarbamoylamino]propionamide Formula: C28H25N5O2S2 MolecularWeight: 527.6604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=O)CCNC(=S)NNC(=O)CN3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)CCNC(=S)NNC(=O)CN3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C28H25N5O2S2/c34-26(30-21-11-7-9-19-8-1-2-10-20(19)21)16-17-29-28(36)32-31-27(35)18-33-22-12-3-5-14-24(22)37-25-15-6-4-13-23(25)33/h1-15H,16-18H2,(H,30,34)(H,31,35)(H2,29,32,36)