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

Systemtic Name: [3-azanyl-4-(1,3-benzothiazol-2-yl)-5-(prop-2-enylamino)thiophen-2-yl]-phenyl-methanone Openeye Name: [5-(allylamino)-3-amino-4-(1,3-benzothiazol-2-yl)-2-thienyl]-phenyl-methanone CAS Name: [3-amino-4-(1,3-benzothiazol-2-yl)-5-(prop-2-enylamino)-2-thiophenyl]-phenylmethanone IUPAC Name: [3-amino-4-(1,3-benzothiazol-2-yl)-5-(prop-2-enylamino)thiophen-2-yl]-phenylmethanone Traditional Name: [5-(allylamino)-3-amino-4-(1,3-benzothiazol-2-yl)-2-thienyl]-phenyl-methanone Formula: C21H17N3OS2 MolecularWeight: 391.50918

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=C(C(=C(S1)C(=O)C2=CC=CC=C2)N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C=CCNC1=C(C(=C(S1)C(=O)C2=CC=CC=C2)N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H17N3OS2/c1-2-12-23-20-16(21-24-14-10-6-7-11-15(14)26-21)17(22)19(27-20)18(25)13-8-4-3-5-9-13/h2-11,23H,1,12,22H2