2-chloranyl-4-nitro-N-[2-[(propan-2-ylcarbamothioylamino)carbamoyl]phenyl]benzamide

Systemtic Name: 2-chloranyl-4-nitro-N-[2-[(propan-2-ylcarbamothioylamino)carbamoyl]phenyl]benzamide Openeye Name: 2-chloro-N-[2-[(isopropylcarbamothioylamino)carbamoyl]phenyl]-4-nitro-benzamide CAS Name: 2-chloro-4-nitro-N-[2-[oxo-[[(propan-2-ylamino)-sulfanylidenemethyl]hydrazo]methyl]phenyl]benzamide IUPAC Name: 2-chloro-4-nitro-N-[2-[(propan-2-ylcarbamothioylamino)carbamoyl]phenyl]benzamide Traditional Name: 2-chloro-N-[2-[(isopropylthiocarbamoylamino)carbamoyl]phenyl]-4-nitro-benzamide Formula: C18H18ClN5O4S MolecularWeight: 435.88462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NNC(=O)C1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)NC(=S)NNC(=O)C1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClN5O4S/c1-10(2)20-18(29)23-22-17(26)13-5-3-4-6-15(13)21-16(25)12-8-7-11(24(27)28)9-14(12)19/h3-10H,1-2H3,(H,21,25)(H,22,26)(H2,20,23,29)