3-chloranyl-N-[[2-(cyclohexylcarbonylamino)ethanoylamino]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[2-(cyclohexylcarbonylamino)ethanoylamino]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[2-[[cyclohexyl(oxo)methyl]amino]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C19H21ClN4O3S2 MolecularWeight: 452.97804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NCC(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C1CCC(CC1)C(=O)NCC(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C19H21ClN4O3S2/c20-15-12-8-4-5-9-13(12)29-16(15)18(27)22-19(28)24-23-14(25)10-21-17(26)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,21,26)(H,23,25)(H2,22,24,27,28)