N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide

Systemtic Name: N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide Openeye Name: N-[4-(3-nitrophenyl)thiazol-2-yl]-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide CAS Name: 2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-[4-(3-nitrophenyl)-2-thiazolyl]propanamide IUPAC Name: N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide Traditional Name: N-[4-(3-nitrophenyl)thiazol-2-yl]-2-[[4-(phenylthiocarbamoylamino)phenyl]thio]propionamide Formula: C25H21N5O3S3 MolecularWeight: 535.66094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])SC3=CC=C(C=C3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])SC3=CC=C(C=C3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C25H21N5O3S3/c1-16(23(31)29-25-28-22(15-35-25)17-6-5-9-20(14-17)30(32)33)36-21-12-10-19(11-13-21)27-24(34)26-18-7-3-2-4-8-18/h2-16H,1H3,(H2,26,27,34)(H,28,29,31)