[3-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]-5-[(2-bromophenyl)carbamoylamino]-6-oxidanyl-cyclohex-3-en-1-yl] N-prop-2-enylcarbamate

Systemtic Name: [3-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]-5-[(2-bromophenyl)carbamoylamino]-6-oxidanyl-cyclohex-3-en-1-yl] N-prop-2-enylcarbamate Openeye Name: [3-[(3-amino-3-oxo-propyl)carbamoyl]-5-[(2-bromophenyl)carbamoylamino]-6-hydroxy-cyclohex-3-en-1-yl] N-allylcarbamate CAS Name: N-prop-2-enylcarbamic acid [3-[[(3-amino-3-oxopropyl)amino]-oxomethyl]-5-[[(2-bromoanilino)-oxomethyl]amino]-6-hydroxy-1-cyclohex-3-enyl] ester IUPAC Name: [3-[(3-amino-3-oxopropyl)carbamoyl]-5-[(2-bromophenyl)carbamoylamino]-6-hydroxycyclohex-3-en-1-yl] N-prop-2-enylcarbamate Traditional Name: N-allylcarbamic acid [3-[(3-amino-3-keto-propyl)carbamoyl]-5-[(2-bromophenyl)carbamoylamino]-6-hydroxy-cyclohex-3-en-1-yl] ester Formula: C21H26BrN5O6 MolecularWeight: 524.36504

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)OC1CC(=CC(C1O)NC(=O)NC2=CC=CC=C2Br)C(=O)NCCC(=O)N

Isomeric SMILES

C=CCNC(=O)OC1CC(=CC(C1O)NC(=O)NC2=CC=CC=C2Br)C(=O)NCCC(=O)N

InChI

InChI=1S/C21H26BrN5O6/c1-2-8-25-21(32)33-16-11-12(19(30)24-9-7-17(23)28)10-15(18(16)29)27-20(31)26-14-6-4-3-5-13(14)22/h2-6,10,15-16,18,29H,1,7-9,11H2,(H2,23,28)(H,24,30)(H,25,32)(H2,26,27,31)