[3-azanyl-4-(1,3-benzothiazol-2-yl)-5-(prop-2-enylamino)thiophen-2-yl]-(4-phenylphenyl)methanone

Systemtic Name: [3-azanyl-4-(1,3-benzothiazol-2-yl)-5-(prop-2-enylamino)thiophen-2-yl]-(4-phenylphenyl)methanone Openeye Name: [5-(allylamino)-3-amino-4-(1,3-benzothiazol-2-yl)-2-thienyl]-(4-phenylphenyl)methanone CAS Name: [3-amino-4-(1,3-benzothiazol-2-yl)-5-(prop-2-enylamino)-2-thiophenyl]-(4-phenylphenyl)methanone IUPAC Name: [3-amino-4-(1,3-benzothiazol-2-yl)-5-(prop-2-enylamino)thiophen-2-yl]-(4-phenylphenyl)methanone Traditional Name: [5-(allylamino)-3-amino-4-(1,3-benzothiazol-2-yl)-2-thienyl]-(4-phenylphenyl)methanone Formula: C27H21N3OS2 MolecularWeight: 467.60514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=C(C(=C(S1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C=CCNC1=C(C(=C(S1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H21N3OS2/c1-2-16-29-26-22(27-30-20-10-6-7-11-21(20)32-27)23(28)25(33-26)24(31)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h2-15,29H,1,16,28H2