thiophen-2-ylmethyl 4-[4-[(E)-3-[(2-aminophenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl]piperazine-1-carboxylate

Systemtic Name: thiophen-2-ylmethyl 4-[4-[(E)-3-[(2-aminophenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl]piperazine-1-carboxylate Openeye Name: 2-thienylmethyl 4-[4-[(E)-3-(2-aminoanilino)-3-oxo-prop-1-enyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]-1-piperazinecarboxylic acid thiophen-2-ylmethyl ester IUPAC Name: thiophen-2-ylmethyl 4-[4-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(E)-3-(2-aminoanilino)-3-keto-prop-1-enyl]phenyl]piperazine-1-carboxylic acid 2-thenyl ester Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C=CC(=O)NC3=CC=CC=C3N)C(=O)OCC4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)/C=C/C(=O)NC3=CC=CC=C3N)C(=O)OCC4=CC=CS4

InChI

InChI=1S/C25H26N4O3S/c26-22-5-1-2-6-23(22)27-24(30)12-9-19-7-10-20(11-8-19)28-13-15-29(16-14-28)25(31)32-18-21-4-3-17-33-21/h1-12,17H,13-16,18,26H2,(H,27,30)/b12-9+