4-[2-[[2,6-bis(oxidanylidene)-4-thiophen-2-yl-cyclohexylidene]methylamino]ethyl]-N-prop-2-enyl-piperazine-1-carbothioamide

Systemtic Name: 4-[2-[[2,6-bis(oxidanylidene)-4-thiophen-2-yl-cyclohexylidene]methylamino]ethyl]-N-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: N-allyl-4-[2-[[2,6-dioxo-4-(2-thienyl)cyclohexylidene]methylamino]ethyl]piperazine-1-carbothioamide CAS Name: 4-[2-[(2,6-dioxo-4-thiophen-2-ylcyclohexylidene)methylamino]ethyl]-N-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: 4-[2-[(2,6-dioxo-4-thiophen-2-ylcyclohexylidene)methylamino]ethyl]-N-prop-2-enylpiperazine-1-carbothioamide Traditional Name: N-allyl-4-[2-[[2,6-diketo-4-(2-thienyl)cyclohexylidene]methylamino]ethyl]piperazine-1-carbothioamide Formula: C21H28N4O2S2 MolecularWeight: 432.60262

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N1CCN(CC1)CCNC=C2C(=O)CC(CC2=O)C3=CC=CS3

Isomeric SMILES

C=CCNC(=S)N1CCN(CC1)CCNC=C2C(=O)CC(CC2=O)C3=CC=CS3

InChI

InChI=1S/C21H28N4O2S2/c1-2-5-23-21(28)25-10-8-24(9-11-25)7-6-22-15-17-18(26)13-16(14-19(17)27)20-4-3-12-29-20/h2-4,12,15-16,22H,1,5-11,13-14H2,(H,23,28)