[[2-(methoxycarbonylsulfanylcarbamoylamino)-4-(phenylcarbonyl)phenyl]-thiophen-2-yl-methylidene]azanium

Systemtic Name: [[2-(methoxycarbonylsulfanylcarbamoylamino)-4-(phenylcarbonyl)phenyl]-thiophen-2-yl-methylidene]azanium Openeye Name: [[4-benzoyl-2-(methoxycarbonylsulfanylcarbamoylamino)phenyl]-(2-thienyl)methylene]ammonium CAS Name: [[4-benzoyl-2-[[[(methoxycarbonylthio)amino]-oxomethyl]amino]phenyl]-thiophen-2-ylmethylidene]ammonium IUPAC Name: [[4-benzoyl-2-(methoxycarbonylsulfanylcarbamoylamino)phenyl]-thiophen-2-ylmethylidene]azanium Traditional Name: [[4-benzoyl-2-[(carbomethoxythio)carbamoylamino]phenyl]-(2-thienyl)methylene]ammonium Formula: C21H18N3O4S2+ MolecularWeight: 440.51532

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)SNC(=O)NC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)C(=[NH2+])C3=CC=CS3

Isomeric SMILES

COC(=O)SNC(=O)NC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)C(=[NH2+])C3=CC=CS3

InChI

InChI=1S/C21H17N3O4S2/c1-28-21(27)30-24-20(26)23-16-12-14(19(25)13-6-3-2-4-7-13)9-10-15(16)18(22)17-8-5-11-29-17/h2-12,22H,1H3,(H2,23,24,26)/p+1