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

Systemtic Name: [3-azanyl-4-(1,3-benzothiazol-2-yl)-5-(prop-2-enylamino)thiophen-2-yl]-(4-methylphenyl)methanone Openeye Name: [5-(allylamino)-3-amino-4-(1,3-benzothiazol-2-yl)-2-thienyl]-(p-tolyl)methanone CAS Name: [3-amino-4-(1,3-benzothiazol-2-yl)-5-(prop-2-enylamino)-2-thiophenyl]-(4-methylphenyl)methanone IUPAC Name: [3-amino-4-(1,3-benzothiazol-2-yl)-5-(prop-2-enylamino)thiophen-2-yl]-(4-methylphenyl)methanone Traditional Name: [5-(allylamino)-3-amino-4-(1,3-benzothiazol-2-yl)-2-thienyl]-(p-tolyl)methanone Formula: C22H19N3OS2 MolecularWeight: 405.53576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C(=C(S2)NCC=C)C3=NC4=CC=CC=C4S3)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C(=C(S2)NCC=C)C3=NC4=CC=CC=C4S3)N

InChI

InChI=1S/C22H19N3OS2/c1-3-12-24-21-17(22-25-15-6-4-5-7-16(15)27-22)18(23)20(28-21)19(26)14-10-8-13(2)9-11-14/h3-11,24H,1,12,23H2,2H3