4-azanyl-5-(1,3-benzodioxol-5-ylcarbonyl)-2-[(phenylmethyl)amino]thiophene-3-carbonitrile

Systemtic Name: 4-azanyl-5-(1,3-benzodioxol-5-ylcarbonyl)-2-[(phenylmethyl)amino]thiophene-3-carbonitrile Openeye Name: 4-amino-5-(1,3-benzodioxole-5-carbonyl)-2-(benzylamino)thiophene-3-carbonitrile CAS Name: 4-amino-5-[1,3-benzodioxol-5-yl(oxo)methyl]-2-[(phenylmethyl)amino]-3-thiophenecarbonitrile IUPAC Name: 4-amino-5-(1,3-benzodioxole-5-carbonyl)-2-(benzylamino)thiophene-3-carbonitrile Traditional Name: 4-amino-2-(benzylamino)-5-piperonyloyl-thiophene-3-carbonitrile Formula: C20H15N3O3S MolecularWeight: 377.4164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)C3=C(C(=C(S3)NCC4=CC=CC=C4)C#N)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)C3=C(C(=C(S3)NCC4=CC=CC=C4)C#N)N

InChI

InChI=1S/C20H15N3O3S/c21-9-14-17(22)19(27-20(14)23-10-12-4-2-1-3-5-12)18(24)13-6-7-15-16(8-13)26-11-25-15/h1-8,23H,10-11,22H2