N-[[[4-(cyclopropylcarbonylamino)phenyl]carbonylamino]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[[4-(cyclopropylcarbonylamino)phenyl]carbonylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]thiocarbamoyl]-3-nitro-benzamide Formula: C19H17N5O5S MolecularWeight: 427.43378

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O5S/c25-16(11-4-5-11)20-14-8-6-12(7-9-14)18(27)22-23-19(30)21-17(26)13-2-1-3-15(10-13)24(28)29/h1-3,6-11H,4-5H2,(H,20,25)(H,22,27)(H2,21,23,26,30)