N-[4-[[(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)carbonylamino]carbamoyl]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[[(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)carbonylamino]carbamoyl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[[(3-chloro-6-methoxy-benzothiophene-2-carbonyl)amino]carbamoyl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[[[(3-chloro-6-methoxy-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-oxomethyl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]carbamoyl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[[(3-chloro-6-methoxy-benzothiophene-2-carbonyl)amino]carbamoyl]phenyl]-3-methyl-butyramide Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl

InChI

InChI=1S/C22H22ClN3O4S/c1-12(2)10-18(27)24-14-6-4-13(5-7-14)21(28)25-26-22(29)20-19(23)16-9-8-15(30-3)11-17(16)31-20/h4-9,11-12H,10H2,1-3H3,(H,24,27)(H,25,28)(H,26,29)