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

Systemtic Name: N-[[[4-(cyclopropylcarbonylamino)phenyl]carbonylamino]carbamothioyl]-3-ethoxy-benzamide Openeye Name: N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioyl]-3-ethoxy-benzamide CAS Name: N-[[[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-ethoxybenzamide IUPAC Name: N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioyl]-3-ethoxybenzamide Traditional Name: N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]thiocarbamoyl]-3-ethoxy-benzamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CC3

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CC3

InChI

InChI=1S/C21H22N4O4S/c1-2-29-17-5-3-4-15(12-17)19(27)23-21(30)25-24-20(28)14-8-10-16(11-9-14)22-18(26)13-6-7-13/h3-5,8-13H,2,6-7H2,1H3,(H,22,26)(H,24,28)(H2,23,25,27,30)