N-[4-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamoyl]phenyl]pentanamide

Systemtic Name: N-[4-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamoyl]phenyl]pentanamide Openeye Name: N-[4-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamoyl]phenyl]pentanamide CAS Name: N-[4-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-oxomethyl]phenyl]pentanamide IUPAC Name: N-[4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamoyl]phenyl]pentanamide Traditional Name: N-[4-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamoyl]phenyl]valeramide Formula: C21H20ClN3O3S MolecularWeight: 429.9198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H20ClN3O3S/c1-2-3-8-17(26)23-14-11-9-13(10-12-14)20(27)24-25-21(28)19-18(22)15-6-4-5-7-16(15)29-19/h4-7,9-12H,2-3,8H2,1H3,(H,23,26)(H,24,27)(H,25,28)