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

Systemtic Name: N-[[[4-(cyclopropylcarbonylamino)phenyl]carbonylamino]carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C20H19IN4O3S MolecularWeight: 522.35933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CC3)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CC3)I

InChI

InChI=1S/C20H19IN4O3S/c1-11-2-3-14(10-16(11)21)18(27)23-20(29)25-24-19(28)13-6-8-15(9-7-13)22-17(26)12-4-5-12/h2-3,6-10,12H,4-5H2,1H3,(H,22,26)(H,24,28)(H2,23,25,27,29)