N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide

Systemtic Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide Openeye Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2-thienylmethyl)piperazin-1-yl]propanamide CAS Name: N-[(2,4-dimethylanilino)-oxomethyl]-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]propanamide IUPAC Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide Traditional Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2-thenyl)piperazino]propionamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)N2CCN(CC2)CC3=CC=CS3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)N2CCN(CC2)CC3=CC=CS3)C

InChI

InChI=1S/C21H28N4O2S/c1-15-6-7-19(16(2)13-15)22-21(27)23-20(26)17(3)25-10-8-24(9-11-25)14-18-5-4-12-28-18/h4-7,12-13,17H,8-11,14H2,1-3H3,(H2,22,23,26,27)