N-[4-[[4-(1,3-benzothiazol-2-yl)phenyl]amino]-4-oxidanylidene-butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-[[4-(1,3-benzothiazol-2-yl)phenyl]amino]-4-oxidanylidene-butyl]thiophene-3-carboxamide Openeye Name: N-[4-[4-(1,3-benzothiazol-2-yl)anilino]-4-oxo-butyl]thiophene-3-carboxamide CAS Name: N-[4-[4-(1,3-benzothiazol-2-yl)anilino]-4-oxobutyl]-3-thiophenecarboxamide IUPAC Name: N-[4-[4-(1,3-benzothiazol-2-yl)anilino]-4-oxobutyl]thiophene-3-carboxamide Traditional Name: N-[4-[4-(1,3-benzothiazol-2-yl)anilino]-4-keto-butyl]thiophene-3-carboxamide Formula: C22H19N3O2S2 MolecularWeight: 421.53516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCCNC(=O)C4=CSC=C4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCCNC(=O)C4=CSC=C4

InChI

InChI=1S/C22H19N3O2S2/c26-20(6-3-12-23-21(27)16-11-13-28-14-16)24-17-9-7-15(8-10-17)22-25-18-4-1-2-5-19(18)29-22/h1-2,4-5,7-11,13-14H,3,6,12H2,(H,23,27)(H,24,26)