N-[4-[(4-tert-butylphenyl)carbonylamino]phenyl]-3-chloranyl-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-[(4-tert-butylphenyl)carbonylamino]phenyl]-3-chloranyl-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-7-nitro-benzothiophene-2-carboxamide CAS Name: N-[4-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-7-nitro-benzothiophene-2-carboxamide Formula: C26H22ClN3O4S MolecularWeight: 507.98858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C26H22ClN3O4S/c1-26(2,3)16-9-7-15(8-10-16)24(31)28-17-11-13-18(14-12-17)29-25(32)23-21(27)19-5-4-6-20(30(33)34)22(19)35-23/h4-14H,1-3H3,(H,28,31)(H,29,32)