4-azanyl-5-(3,4-dimethoxyphenyl)carbonyl-2-(propan-2-ylamino)thiophene-3-carbonitrile

Systemtic Name: 4-azanyl-5-(3,4-dimethoxyphenyl)carbonyl-2-(propan-2-ylamino)thiophene-3-carbonitrile Openeye Name: 4-amino-5-(3,4-dimethoxybenzoyl)-2-(isopropylamino)thiophene-3-carbonitrile CAS Name: 4-amino-5-[(3,4-dimethoxyphenyl)-oxomethyl]-2-(propan-2-ylamino)-3-thiophenecarbonitrile IUPAC Name: 4-amino-5-(3,4-dimethoxybenzoyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile Traditional Name: 4-amino-2-(isopropylamino)-5-veratroyl-thiophene-3-carbonitrile Formula: C17H19N3O3S MolecularWeight: 345.41606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C(=C(S1)C(=O)C2=CC(=C(C=C2)OC)OC)N)C#N

Isomeric SMILES

CC(C)NC1=C(C(=C(S1)C(=O)C2=CC(=C(C=C2)OC)OC)N)C#N

InChI

InChI=1S/C17H19N3O3S/c1-9(2)20-17-11(8-18)14(19)16(24-17)15(21)10-5-6-12(22-3)13(7-10)23-4/h5-7,9,20H,19H2,1-4H3